Geometry & MOs

Info

ID:	276505
PubChem CID:	103823958
Reduced:	N2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	333.95354
ΔH_f, kcal/mol:	68.87
Dipole, Da:	2.92
IP(EA), eV:	-8.55(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-3-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)NCC2=C(N(C(=C2)C#N)C)C

DOS

IR

Vibrations