Geometry & MOs

Info

ID:	77848
PubChem CID:	49661754
Reduced:	ClSN4O4H17C18 (1)
Stoich.:	ABC4D4E17F18 (1)
Weight, g/mol:	370.109962
ΔH_f, kcal/mol:	-79.49
Dipole, Da:	4.67
IP(EA), eV:	-8.52(-1.7)
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-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(C=N2)SCC(=O)N3CC=C)Cl

DOS

IR

Vibrations