Geometry & MOs

Info

ID:	170001
PubChem CID:	75179163
Reduced:	N4O6H18C19 (1)
Stoich.:	A4B6C18D19 (1)
Weight, g/mol:	383.111735
ΔH_f, kcal/mol:	-82.36
Dipole, Da:	4.27
IP(EA), eV:	-9.64(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-nitroanilino)-4-oxo-2-(3-phenylprop-2-enoylamino)butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)NC(CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NO

DOS

IR

Vibrations