Geometry & MOs

Info

ID:

298246

PubChem CID:

117648127

Reduced:

NSH31C44 (1)

Stoich.:

ABC31D44 (1)

Weight, g/mol:

358.214409

ΔHf, kcal/mol:

159.91

Dipole, Da:

6.58

IP(EA), eV:

 -8.24(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,17-dihydroxy-17-(3-hydroxyprop-1-en-2-yl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC6=C(C=C5)C7=C(C6(C)C)C=CC8=C7SC9=C8C=CC(=C9)C#N)C

DOS

IR

Vibrations