Geometry & MOs

Info

ID:	77842
PubChem CID:	49661732
Reduced:	SN4O4C17H18 (1)
Stoich.:	AB4C4D17E18 (1)
Weight, g/mol:	402.099791
ΔH_f, kcal/mol:	-93.82
Dipole, Da:	6.7
IP(EA), eV:	-8.55(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN2C(=O)C3=C(C=N2)SCC(=O)N3C

DOS

IR

Vibrations