Geometry & MOs

Info

ID:	138903
PubChem CID:	52441183
Reduced:	ClSO3N4C20H21 (1)
Stoich.:	ABC3D4E20F21 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	-30.26
Dipole, Da:	4.1
IP(EA), eV:	-8.28(-0.7)
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-(2,3-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CSC2=NN(CC(=N2)OC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations