Geometry & MOs

Info

ID:	366172
PubChem CID:	127319581
Reduced:	ClSN3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	334.109962
ΔH_f, kcal/mol:	-80.72
Dipole, Da:	4.36
IP(EA), eV:	-9.3(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(1,1-dioxothian-3-yl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations