Geometry & MOs

Info

ID:	86072
PubChem CID:	49881638
Reduced:	OSN2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	545.158903
ΔH_f, kcal/mol:	-7.81
Dipole, Da:	6.39
IP(EA), eV:	-8.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)OC)CSC3=CC=C(C=C3)C

DOS

IR

Vibrations