Geometry & MOs

Info

ID:	239316
PubChem CID:	93166302
Reduced:	ClSN2O4C27H29 (1)
Stoich.:	ABC2D4E27F29 (1)
Weight, g/mol:	526.169306
ΔH_f, kcal/mol:	-101.56
Dipole, Da:	3.82
IP(EA), eV:	-8.81(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4R)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-(3-methoxypropyl)-4-methylbenzamide

Drug info:

PubChemData

Smile

COCCCN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations