Geometry & MOs

Info

ID:	85442
PubChem CID:	49875160
Reduced:	NC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	529.076613
ΔH_f, kcal/mol:	43.51
Dipole, Da:	3.5
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-[[[6-(1-benzofuran-2-yl)pyridin-2-yl]amino]-hydroxymethylidene]-2-methyl-1,1-dioxo-6-phenylthieno[2,3-e]thiazin-4-one

Drug info:

PubChemData

Smile

CN1CCC2C1C3=C(C=C2)N=CC=C3

DOS

IR

Vibrations