Geometry & MOs

Info

ID:

219998

PubChem CID:

85165128

Reduced:

S2N5O11C23H43 (1)

Stoich.:

A2B5C11D23E43 (1)

Weight, g/mol:

629.501924

ΔHf, kcal/mol:

-527.04

Dipole, Da:

7.8

IP(EA), eV:

 -9.36(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCS(=O)(=O)NC1CN(CC1NS(=O)(=O)CCNC(=O)OC(C)(C)C)C(=O)CCC(=O)OC

DOS

IR

Vibrations