Geometry & MOs

Info

ID:

128184

PubChem CID:

51034036

Reduced:

F3N4O9C27H31 (1)

Stoich.:

A3B4C9D27E31 (1)

Weight, g/mol:

533.100556

ΔHf, kcal/mol:

-504.7

Dipole, Da:

6.72

IP(EA), eV:

 -8.73(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(3E)-3-[[2-chloro-5-(trifluoromethyl)phenyl]-phenylmethylidene]-2-oxoindol-1-yl]methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C(C2=C1O)O)O)N(C)C)OC(F)(F)F

DOS

IR

Vibrations