Geometry & MOs

Info

ID:

179056

PubChem CID:

76427839

Reduced:

SN2O8C44H84 (1)

Stoich.:

AB2C8D44E84 (1)

Weight, g/mol:

511.248936

ΔHf, kcal/mol:

-516.54

Dipole, Da:

4.67

IP(EA), eV:

 -8.53(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(2-chlorophenyl)-1-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)prop-2-enylidene]amino]oxyacetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSC(C)(C)C(C(=O)NC(CO)C(=O)OC)N)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations