Geometry & MOs

Info

ID:

21605

PubChem CID:

589186

Reduced:

O3C15H25 (2)

Stoich.:

A3B15C25 (2)

Weight, g/mol:

506.360739

ΔHf, kcal/mol:

-334.89

Dipole, Da:

2.99

IP(EA), eV:

 -9.89(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(hydroxymethyl)-12,16-dimethyl-15-[3,5,6-trihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one

Drug info:

PubChemData

Smile

CC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=O)C5CO)C)C)C(CC(CO)(C(C)(C)O)O)O

DOS

IR

Vibrations