Geometry & MOs

Info

ID:

305209

PubChem CID:

124767559

Reduced:

O2N3H19C22 (1)

Stoich.:

A2B3C19D22 (1)

Weight, g/mol:

344.235145

ΔHf, kcal/mol:

35.23

Dipole, Da:

2.15

IP(EA), eV:

 -8.61(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,8S,9R,10R,13S,14R,17R)-3-hydroxy-10,13-dimethylspiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,5'-oxolane]-2'-one

Drug info:

PubChemData

Smile

CC1=CC(=C2C[C@@H]3C4=CC=CC=C4O[C@H](N3N2)C5=CC=NC=C5)C(=O)C=C1

DOS

IR

Vibrations