Geometry & MOs

Info

ID:	263305
PubChem CID:	103354398
Reduced:	BrSO2N4C13H17 (1)
Stoich.:	ABC2D4E13F17 (1)
Weight, g/mol:	375.98409
ΔH_f, kcal/mol:	-12.42
Dipole, Da:	4.23
IP(EA), eV:	-9.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(3,5-dimethoxyphenyl)-3-methyltriazole-4-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations