Geometry & MOs

Info

ID:	162056
PubChem CID:	57393464
Reduced:	O2N5H25C27 (1)
Stoich.:	A2B5C25D27 (1)
Weight, g/mol:	749.41504
ΔH_f, kcal/mol:	14.48
Dipole, Da:	3.27
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-[methyl(prop-2-ynyl)amino]oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-4-yl] 2-(2-fluorophenyl)acetate

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

C1CC2(CNC1)CNC(=O)C3=C2NC(=C3)C4=CC(=NC=C4)NC(=O)C5=CC=CC6=CC=CC=C65

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

C1CC2(CNC1)CNC(=O)C3=C2NC(=C3)C4=CC(=NC=C4)NC(=O)C5=CC=CC6=CC=CC=C65

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):