Geometry & MOs

Info

ID:	155836
PubChem CID:	56367748
Reduced:	BrO3N4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	470.85245
ΔH_f, kcal/mol:	-53.44
Dipole, Da:	3.79
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-3,4,5,6-tetrachloropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CN2C3=CC=CC=C3N=CC2=O

DOS

IR

Vibrations