Geometry & MOs

Info

ID:

296743

PubChem CID:

117591281

Reduced:

NO5C35H43 (1)

Stoich.:

AB5C35D43 (1)

Weight, g/mol:

661.233773

ΔHf, kcal/mol:

-204.97

Dipole, Da:

2.59

IP(EA), eV:

 -8.82(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-(2,6-dichloro-3-methylanilino)benzoate;(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) propanoate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)N)C.COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O

DOS

IR

Vibrations