Geometry & MOs

Info

ID:	337688
PubChem CID:	127258311
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	4.87
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)-phenylmethyl]amino]butanamide

Drug info:

PubChemData

Smile

CC(=O)/C(=C\1/NCCS1)/C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations