Geometry & MOs

Info

ID:	366188
PubChem CID:	127319603
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-132.41
Dipole, Da:	5.31
IP(EA), eV:	-8.87(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(C)C(=O)NC2CCCS(=O)(=O)C2

DOS

IR

Vibrations