Geometry & MOs

Info

ID:	29073
PubChem CID:	831442
Reduced:	SCl2O2H10C12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	312.104482
ΔH_f, kcal/mol:	-76.77
Dipole, Da:	2.69
IP(EA), eV:	-9.04(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylacetamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

DOS

IR

Vibrations