Geometry & MOs

Info

ID:

159095

PubChem CID:

57260149

Reduced:

O8C37H72 (1)

Stoich.:

A8B37C72 (1)

Weight, g/mol:

522.418529

ΔHf, kcal/mol:

-496.48

Dipole, Da:

2.1

IP(EA), eV:

 -10.01(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-N-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCC(CCCOC(=O)CC(=O)OCCCC(CCCCCCCCC)(OCC)OCC)(OCC)OCC

DOS

IR

Vibrations