Geometry & MOs

Info

ID:	367697
PubChem CID:	127325448
Reduced:	N2S2O3C18H26 (1)
Stoich.:	A2B2C3D18E26 (1)
Weight, g/mol:	320.094312
ΔH_f, kcal/mol:	-131.16
Dipole, Da:	2.59
IP(EA), eV:	-8.69(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-3-(1,2,4-triazol-1-yl)benzamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CSC2=C(C=CC=N2)C(=O)NC3CCCS(=O)(=O)C3

DOS

IR

Vibrations