Geometry & MOs

Info

ID:	77850
PubChem CID:	49661758
Reduced:	ClSO3N4H17C18 (1)
Stoich.:	ABC3D4E17F18 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	6.15
IP(EA), eV:	-9.04(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dioxo-4-prop-2-enylpyridazino[4,5-b][1,4]thiazin-6-yl)-N-(2-ethyl-6-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2C(=O)C3=C(C=N2)SCC(=O)N3CC=C

DOS

IR

Vibrations