Geometry & MOs

Info

ID:	21179
PubChem CID:	587471
Reduced:	O2Cl3N3H14C17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	397.01516
ΔH_f, kcal/mol:	-38.94
Dipole, Da:	2.92
IP(EA), eV:	-9.14(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[[4-(3,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC(=NNC(=O)C1=CC=CC=C1Cl)CC(=O)NC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations