Geometry & MOs

Info

ID:

219958

PubChem CID:

85165086

Reduced:

S3N4O7C27H34 (1)

Stoich.:

A3B4C7D27E34 (1)

Weight, g/mol:

622.30831

ΔHf, kcal/mol:

-251.19

Dipole, Da:

8.53

IP(EA), eV:

 -8.83(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(5-benzoyl-2-phenyl-1-benzofuran-3-carbonyl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=CC3=C(S2)C=C(S3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations