Geometry & MOs

Info

ID:	263303
PubChem CID:	103354230
Reduced:	SN4C11H14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	329.97861
ΔH_f, kcal/mol:	58.9
Dipole, Da:	4.93
IP(EA), eV:	-8.45(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-methyl-N-(4-methylphenyl)triazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CC(C1)(CNC2=NC=NC3=C2SC=C3)N

DOS

IR

Vibrations