Geometry & MOs

Info

ID:	138896
PubChem CID:	52441176
Reduced:	ClSN4O4C21H21 (1)
Stoich.:	ABC4D4E21F21 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	-58.03
Dipole, Da:	4.59
IP(EA), eV:	-8.39(-0.89)
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-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CN1CC(=NC(=N1)SCC(=O)NC2=CC3=C(C=C2)OCCCO3)OC4=CC=C(C=C4)Cl

DOS

IR

Vibrations