Geometry & MOs

Info

ID:	391272
PubChem CID:	135004053
Reduced:	N3O5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-132.24
Dipole, Da:	3.06
IP(EA), eV:	-8.59(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-benzyl 6-O-ethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate

Drug info:

PubChemData

Smile

COCCN1C2=C(C=C(C=C2)C(=O)OC)N3C1=NCC(=C3CCC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations