Geometry & MOs

Info

ID:	173241
PubChem CID:	75611628
Reduced:	ClN3O5H16C25 (1)
Stoich.:	AB3C5D16E25 (1)
Weight, g/mol:	421.01927
ΔH_f, kcal/mol:	3.94
Dipole, Da:	4.15
IP(EA), eV:	-8.92(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[[4-(3-chloro-2-methylanilino)-4-oxobutan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])OC(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations