Geometry & MOs

Info

ID:	23375
PubChem CID:	603233
Reduced:	BrCl2O2N3H14C17 (1)
Stoich.:	AB2C2D3E14F17 (1)
Weight, g/mol:	440.96464
ΔH_f, kcal/mol:	-28.58
Dipole, Da:	3.33
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations