Geometry & MOs

Info

ID:	156198
PubChem CID:	56369486
Reduced:	BrOSN4H13C15 (1)
Stoich.:	ABCD4E13F15 (1)
Weight, g/mol:	443.00362
ΔH_f, kcal/mol:	66.66
Dipole, Da:	4.02
IP(EA), eV:	-9.28(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-benzamido-2-methylphenyl)-5-bromo-2-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C=C1C(=O)NC2=NN=C(S2)C3=CC=CC=C3)Br

DOS

IR

Vibrations