Geometry & MOs

Info

ID:

215058

PubChem CID:

85084069

Reduced:

O3N8C39H52 (1)

Stoich.:

A3B8C39D52 (1)

Weight, g/mol:

680.468755

ΔHf, kcal/mol:

-85.32

Dipole, Da:

2.67

IP(EA), eV:

 -8.33(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[3,7-bis[[ethyl(dimethyl)silyl]oxy]-10-[[ethyl(dimethyl)silyl]oxymethyl]-13-methyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)CC(C(=O)N2CCN(CC2)C3CCN(CC3)C)NC(=O)N4CCC(CC4)N5C6=C(C7=CC=CC=C7N=C6)NC5=O)CC

DOS

IR

Vibrations