Geometry & MOs

Info

ID:	138893
PubChem CID:	52440973
Reduced:	OSF2N2H11C17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	402.091725
ΔH_f, kcal/mol:	-18.04
Dipole, Da:	5.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.118865
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N=C2N=C(/C(=C\C3=C(C=C(C=C3)F)F)/S2)[O-]

DOS

IR

Vibrations