Geometry & MOs

Info

ID:	138897
PubChem CID:	52441177
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	422.037102
ΔH_f, kcal/mol:	6.46
Dipole, Da:	5.86
IP(EA), eV:	-8.58(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenoxy)-1-methyl-6H-1,2,4-triazin-3-yl]sulfanyl]-N-(2-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CSC2=NN(CC(=N2)OC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations