Geometry & MOs

Info

ID:	138902
PubChem CID:	52441182
Reduced:	SCl2O2N4H18C19 (1)
Stoich.:	AB2C2D4E18F19 (1)
Weight, g/mol:	432.102289
ΔH_f, kcal/mol:	-2.61
Dipole, Da:	6.87
IP(EA), eV:	-8.82(-1.04)
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-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN(CC(=N2)OC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations