Geometry & MOs

Info

ID:	138904
PubChem CID:	52441184
Reduced:	ClSO2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	2.3
Dipole, Da:	5.75
IP(EA), eV:	-8.6(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CSC2=NN(CC(=N2)OC3=CC=C(C=C3)Cl)C)C

DOS

IR

Vibrations