Geometry & MOs

Info

ID:	252322
PubChem CID:	103110552
Reduced:	BrClN2O2C13H16 (1)
Stoich.:	ABC2D2E13F16 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-76.89
Dipole, Da:	2.85
IP(EA), eV:	-9.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-2-methylphenyl)methyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations