Geometry & MOs

Info

ID:	279192
PubChem CID:	103841963
Reduced:	BrClN2O2C12H14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	385.92245
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	1.49
IP(EA), eV:	-9.98(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(4-carbamoyl-3-chlorophenyl)-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N)NC(=O)C1=CC(=C(C=C1)Cl)Br

DOS

IR

Vibrations