Geometry & MOs

Info

ID:	77849
PubChem CID:	49661755
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	404.070989
ΔH_f, kcal/mol:	-44.19
Dipole, Da:	2.11
IP(EA), eV:	-8.88(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations