Geometry & MOs

Info

ID:	343083
PubChem CID:	127266256
Reduced:	BrSN3O3C10H14 (1)
Stoich.:	ABC3D3E10F14 (1)
Weight, g/mol:	320.130697
ΔH_f, kcal/mol:	-93.5
Dipole, Da:	6.42
IP(EA), eV:	-9.86(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclobutyltriazol-4-yl)methyl]-2-ethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CNC(=O)NCCNS(=O)(=O)C1=CC=C(C=C1)Br

DOS

IR

Vibrations