Geometry & MOs

Info

ID:	270020
PubChem CID:	103622306
Reduced:	NSO2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	328.076075
ΔH_f, kcal/mol:	-38.41
Dipole, Da:	3.37
IP(EA), eV:	-8.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chloroethyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2S)OC

DOS

IR

Vibrations