Geometry & MOs

Info

ID:	77846
PubChem CID:	49661745
Reduced:	ClSO3N4C17H17 (1)
Stoich.:	ABC3D4E17F17 (1)
Weight, g/mol:	384.125612
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	5.47
IP(EA), eV:	-8.96(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)CSC2=C1C(=O)N(N=C2)CC(=O)NC3=CC(=C(C=C3)C)Cl

DOS

IR

Vibrations