Geometry & MOs

Info

ID:	138899
PubChem CID:	52441179
Reduced:	ClSO3N5H18C19 (1)
Stoich.:	ABC3D5E18F19 (1)
Weight, g/mol:	432.065904
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	7.53
IP(EA), eV:	-8.63(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)N)OC3=CC=C(C=C3)Cl

DOS

IR

Vibrations