Geometry & MOs

Info

ID:	138318
PubChem CID:	52347057
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-10.93
Dipole, Da:	9.72
IP(EA), eV:	-9.44(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)COC1=CC=CC(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations