Geometry & MOs

Info

ID:	345708
PubChem CID:	127270008
Reduced:	ON2C8H9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	346.109962
ΔH_f, kcal/mol:	-1.59
Dipole, Da:	3.27
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C2=NC(=NN2)C3=CC=C(C=C3)NC(=O)C4CCOC4

DOS

IR

Vibrations