Geometry & MOs

Info

ID:	29248
PubChem CID:	832561
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-45.92
Dipole, Da:	2.71
IP(EA), eV:	-8.88(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2

DOS

IR

Vibrations