Geometry & MOs

Info

ID:	55637
PubChem CID:	17395705
Reduced:	OSN4C15H16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	344.076553
ΔH_f, kcal/mol:	55.8
Dipole, Da:	3.9
IP(EA), eV:	-8.75(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)SCC2=NC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations