Geometry & MOs

Info

ID:

189429

PubChem CID:

77854277

Reduced:

N5O6C42H53 (1)

Stoich.:

A5B6C42D53 (1)

Weight, g/mol:

374.201258

ΔHf, kcal/mol:

-238.24

Dipole, Da:

5.88

IP(EA), eV:

 -9.11(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-acetyl-2-chloro-16-ethenyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CC(C)C)C(CC(=O)NCCC1=CC=CC=N1)O)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations