Geometry & MOs

Info

ID:

214625

PubChem CID:

85083299

Reduced:

N4O7C29H44 (1)

Stoich.:

A4B7C29D44 (1)

Weight, g/mol:

560.334918

ΔHf, kcal/mol:

-341.71

Dipole, Da:

5.88

IP(EA), eV:

 -9.62(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-(7,12-diacetyloxy-10,13-dimethyl-3-prop-2-enoyloxy-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

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations