Geometry & MOs

Info

ID:

298248

PubChem CID:

117648131

Reduced:

NSH35C57 (1)

Stoich.:

ABC35D57 (1)

Weight, g/mol:

356.198759

ΔHf, kcal/mol:

246.34

Dipole, Da:

2.81

IP(EA), eV:

 -8.19(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-hydroxy-17-(3-hydroxyprop-1-en-2-yl)-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C3=C(C24C5=CC=CC=C5C6=CC=CC=C46)C=C(C=C3)C7=C8C=CC=CC8=C(C9=CC=CC=C97)C2=CC=CC=C2)C2=C1C1=C(S2)C=C(C=C1)C1=CN=CC=C1

DOS

IR

Vibrations