Geometry & MOs

Info

ID:

185731

PubChem CID:

77341549

Reduced:

SN3O9C42H45 (1)

Stoich.:

AB3C9D42E45 (1)

Weight, g/mol:

382.28718

ΔHf, kcal/mol:

-299.44

Dipole, Da:

4.7

IP(EA), eV:

 -9.1(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-(2-cyclopropylethynyl)-3-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1C2N(C1=O)C(C(=CS2)C(=C3CCNC3=O)CC4=CC(=CC=C4)OC(=O)OC(C)(C)C)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations