Geometry & MOs

Info

ID:	272737
PubChem CID:	103753784
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	355.97273
ΔH_f, kcal/mol:	-121.48
Dipole, Da:	4.05
IP(EA), eV:	-9.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NCC2(CCCCC2)C

DOS

IR

Vibrations