Geometry & MOs

Info

ID:	270964
PubChem CID:	103639022
Reduced:	BrNOSH12C16 (1)
Stoich.:	ABCDE12F16 (1)
Weight, g/mol:	323.9665
ΔH_f, kcal/mol:	23.82
Dipole, Da:	4.76
IP(EA), eV:	-9.07(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-4-chloropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=CSC3=CC=CC=C32

DOS

IR

Vibrations