Geometry & MOs

Info

ID:	366230
PubChem CID:	127319679
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	352.10054
ΔH_f, kcal/mol:	-155.23
Dipole, Da:	7.57
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC=C(C=C2)N3CCOCC3

DOS

IR

Vibrations