Geometry & MOs

Info

ID:	77840
PubChem CID:	49661729
Reduced:	ClO2N4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	2.14
Dipole, Da:	2.64
IP(EA), eV:	-8.48(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=NN(C=C1C2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations