Geometry & MOs

Info

ID:	263304
PubChem CID:	103354383
Reduced:	BrSO2N4C10H11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	372.02556
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	1.74
IP(EA), eV:	-8.76(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(4-tert-butylphenyl)-3-methyltriazole-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(N=NN2C)Br

DOS

IR

Vibrations