Geometry & MOs

Info

ID:

186925

PubChem CID:

77506274

Reduced:

S2N4O11H34C37 (1)

Stoich.:

A2B4C11D34E37 (1)

Weight, g/mol:

372.266445

ΔHf, kcal/mol:

-296.6

Dipole, Da:

11.9

IP(EA), eV:

 -8.79(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-hydroxy-17-(3-hydroxypropyl)-10,13-dimethylspiro[1,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2,1'-cyclopropane]-3-one

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC3=C(C=C2)N=CC(C3=O)C(=O)O.CCOC1=CC=CC=C1N(C)S(=O)(=O)C2=CC3=C(C=C2)N=CC(C3=O)C(=O)O

DOS

IR

Vibrations