Geometry & MOs

Info

ID:	347162
PubChem CID:	127271703
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	1.67
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2S1)NC(=O)C3CC4CCCC(C3)C4=O)OC

DOS

IR

Vibrations