Geometry & MOs

Info

ID:

176199

PubChem CID:

76008213

Reduced:

S2O9N10C45H68 (1)

Stoich.:

A2B9C10D45E68 (1)

Weight, g/mol:

529.22868

ΔHf, kcal/mol:

-426.47

Dipole, Da:

14.94

IP(EA), eV:

 -8.47(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) N,N-dibenzylsulfamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)CCCCCNC(=O)C(CS)N

DOS

IR

Vibrations