Geometry & MOs

Info

ID:	215041
PubChem CID:	85084046
Reduced:	SiO3C19H34 (2)
Stoich.:	AB3C19D34 (2)
Weight, g/mol:	677.268355
ΔH_f, kcal/mol:	-391.82
Dipole, Da:	5.4
IP(EA), eV:	-8.37(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10-acetyloxy-5,22,27-trihydroxy-4,28,28,29-tetramethyl-3,14,19,23-tetraoxo-8,13,24-trioxa-20-azapentacyclo[23.3.1.04,11.07,10.012,27]nonacosa-1(29),16-dien-2-yl) 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

CCC(C)(C)C(=O)OC1C(C(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O[Si](C)(C)C(C)(C)C)C)CO[Si](C)(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

CCC(C)(C)C(=O)OC1C(C(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O[Si](C)(C)C(C)(C)C)C)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):