Geometry & MOs

Info

ID:	278112
PubChem CID:	103833470
Reduced:	SN2O5C13H18 (1)
Stoich.:	AB2C5D13E18 (1)
Weight, g/mol:	309.069574
ΔH_f, kcal/mol:	-182.47
Dipole, Da:	7.02
IP(EA), eV:	-9.27(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorobenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)NS(=O)(=O)C1=CC=CC=C1C(=O)OC

DOS

IR

Vibrations