Geometry & MOs

Info

ID:	85402
PubChem CID:	49874776
Reduced:	BrClSO2N6H18C20 (1)
Stoich.:	ABCD2E6F18G20 (1)
Weight, g/mol:	399.011426
ΔH_f, kcal/mol:	49.3
Dipole, Da:	4.77
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-6-chloro-3-[[(6-ethylpyridin-2-yl)amino]-hydroxymethylidene]-2-methyl-1,1-dioxothieno[2,3-e]thiazin-4-one

Drug info:

PubChemData

Smile

CCCCC1=NC(=C(N1CC2=CC(=C(S2)Br)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl

DOS

IR

Vibrations