Geometry & MOs

Info

ID:

49908

PubChem CID:

11534274

Reduced:

O2N9C31H39 (1)

Stoich.:

A2B9C31D39 (1)

Weight, g/mol:

570.154861

ΔHf, kcal/mol:

46.56

Dipole, Da:

7.96

IP(EA), eV:

 -8.64(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(3E)-2-oxo-1-propyl-3-[[3-(trifluoromethyl)phenyl]carbamoylhydrazinylidene]indol-5-yl]sulfanylethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=NC=NC(=C3)NC)C4=CC=CC(=C4)CN5CCN(CC5)C

DOS

IR

Vibrations