Geometry & MOs

Info

ID:	84001
PubChem CID:	49863136
Reduced:	ON3H7C9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	459.04277
ΔH_f, kcal/mol:	52.36
Dipole, Da:	10.69
IP(EA), eV:	-9.37(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4,6-difluorophenyl)-3-[(1-methylpiperidin-4-yl)amino]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=NC=NC3=C2NC(=N3)C4=CN=CC=C4

DOS

IR

Vibrations