Geometry & MOs

Info

ID:	36253
PubChem CID:	7982489
Reduced:	SCl2O2N4H14C17 (1)
Stoich.:	AB2C2D4E14F17 (1)
Weight, g/mol:	416.070989
ΔH_f, kcal/mol:	-1.83
Dipole, Da:	9.76
IP(EA), eV:	-8.77(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetylphenyl)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations