Geometry & MOs

Info

ID:	239309
PubChem CID:	93166291
Reduced:	ClSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	478.169306
ΔH_f, kcal/mol:	-132.89
Dipole, Da:	2.5
IP(EA), eV:	-8.92(-0.28)
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-(3-methoxypropyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations