Geometry & MOs

Info

ID:	138898
PubChem CID:	52441178
Reduced:	SCl2O2N4H16C18 (1)
Stoich.:	AB2C2D4E16F18 (1)
Weight, g/mol:	431.081888
ΔH_f, kcal/mol:	7.33
Dipole, Da:	5.13
IP(EA), eV:	-8.81(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[5-(4-chlorophenoxy)-1-methyl-6H-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CN1CC(=NC(=N1)SCC(=O)NC2=CC=CC=C2Cl)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations