Geometry & MOs

Info

ID:

188963

PubChem CID:

77794813

Reduced:

O3N4C27H34 (1)

Stoich.:

A3B4C27D34 (1)

Weight, g/mol:

402.238179

ΔHf, kcal/mol:

-81.62

Dipole, Da:

1.99

IP(EA), eV:

 -8.27(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCN(C(CNC2=CC3=CC=CC=C3C=C2)C(=O)O)C(=O)C(CCCN)N

DOS

IR

Vibrations