Geometry & MOs

Info

ID:	55640
PubChem CID:	17395709
Reduced:	OS2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	372.107854
ΔH_f, kcal/mol:	13.27
Dipole, Da:	5.04
IP(EA), eV:	-9.09(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1)SC(C)C(=O)NCC2=CC=CS2

DOS

IR

Vibrations