Geometry & MOs

Info

ID:	31561
PubChem CID:	855872
Reduced:	ClOSN3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-14.86
Dipole, Da:	4.44
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC(=O)NC2=C(C(=CC=C2)Cl)C)C

DOS

IR

Vibrations