Geometry & MOs

Info

ID:	77847
PubChem CID:	49661751
Reduced:	SO3N4C19H20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	420.065904
ΔH_f, kcal/mol:	-51.32
Dipole, Da:	1.67
IP(EA), eV:	-8.62(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations