Geometry & MOs

Info

ID:	143036
PubChem CID:	53136321
Reduced:	SO3N4C18H20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	358.109962
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	6.05
IP(EA), eV:	-9.04(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNC(=O)CN2C(=O)C3=C(C=N2)SCC(=O)N3C)C

DOS

IR

Vibrations