Geometry & MOs

Info

ID:	215237
PubChem CID:	85084410
Reduced:	NSiCl3O9C36H46 (1)
Stoich.:	ABC3D9E36F46 (1)
Weight, g/mol:	771.466995
ΔH_f, kcal/mol:	-447.48
Dipole, Da:	2.79
IP(EA), eV:	-9.03(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[4-(dimethylamino)-3-hydroxy-6-methyl-5-(3-pyridin-2-ylpropoxy)oxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-15-morpholin-4-yl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(OC2C(O1)C(C3C(C2OC(=O)C4CCCN4C(=O)OCC(Cl)(Cl)Cl)OC(O3)(C)C)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(OC2C(O1)C(C3C(C2OC(=O)C4CCCN4C(=O)OCC(Cl)(Cl)Cl)OC(O3)(C)C)O[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):