Geometry & MOs

Info

ID:	347917
PubChem CID:	127272979
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-69.03
Dipole, Da:	5.01
IP(EA), eV:	-9.35(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothiolan-3-yl)-1-[4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NN2)C3=CC=CC=C3)C(=O)C4CCS(=O)(=O)C4

DOS

IR

Vibrations