Geometry & MOs

Info

ID:	20243
PubChem CID:	582794
Reduced:	N4O5H20C25 (1)
Stoich.:	A4B5C20D25 (1)
Weight, g/mol:	456.14337
ΔH_f, kcal/mol:	-7.48
Dipole, Da:	9.49
IP(EA), eV:	-8.62(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-indol-3-yl)-4-[(2-nitrobenzoyl)hydrazinylidene]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2[N+](=O)[O-])CC(C3=CNC4=CC=CC=C43)C(=O)O

DOS

IR

Vibrations