Geometry & MOs

Info

ID:	239209
PubChem CID:	93166143
Reduced:	ClSN2O4C25H31 (1)
Stoich.:	ABC2D4E25F31 (1)
Weight, g/mol:	490.169306
ΔH_f, kcal/mol:	-134.89
Dipole, Da:	3.96
IP(EA), eV:	-8.94(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)N1CCC2=C([C@@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4CCCC4

DOS

IR

Vibrations