Geometry & MOs

Info

ID:	401698
PubChem CID:	135052165
Reduced:	NOSC8H15 (1)
Stoich.:	ABCD8E15 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	-49.17
Dipole, Da:	4.38
IP(EA), eV:	-8.7(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-acetyl-3-propyltriazol-4-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCN/C(=C/C(=O)C)/SC

DOS

IR

Vibrations