Geometry & MOs

Info

ID:	52817
PubChem CID:	14709004
Reduced:	NSO4H15C20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	379.087829
ΔH_f, kcal/mol:	-83.93
Dipole, Da:	0.89
IP(EA), eV:	-8.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[hydroxy(phenyl)methylidene]-6-methyl-1-oxothieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC=CN2C3=C1S/C(=C(\C4=CC=CC=C4)/O)/C3=O

DOS

IR

Vibrations