Geometry & MOs

Info

ID:	366080
PubChem CID:	127319411
Reduced:	SN2O5C16H20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	320.094312
ΔH_f, kcal/mol:	-194.15
Dipole, Da:	4.85
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)CCN2C(=O)COC3=CC=CC=C32

DOS

IR

Vibrations