Geometry & MOs

Info

ID:	172538
PubChem CID:	75522769
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	328.099397
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	5.58
IP(EA), eV:	-9.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-N-(4-phenyl-1,2,4-triazol-3-yl)methanesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CCC(=O)OC)C(=O)C2=CSC(=N2)C3=CC=CC=N3

DOS

IR

Vibrations