Geometry & MOs

Info

ID:	55639
PubChem CID:	17395707
Reduced:	OS2N5H15C16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	310.092204
ΔH_f, kcal/mol:	86.81
Dipole, Da:	2.04
IP(EA), eV:	-8.78(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CS1)SC2=NNC3=NC4=CC=CC=C4N32

DOS

IR

Vibrations