Geometry & MOs

Info

ID:	138901
PubChem CID:	52441181
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	436.052752
ΔH_f, kcal/mol:	2.19
Dipole, Da:	6.44
IP(EA), eV:	-8.49(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NN(CC(=N2)OC3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations