Geometry & MOs

Info

ID:	239201
PubChem CID:	93166130
Reduced:	ClSN2O4C24H31 (1)
Stoich.:	ABC2D4E24F31 (1)
Weight, g/mol:	498.138006
ΔH_f, kcal/mol:	-144.55
Dipole, Da:	5.0
IP(EA), eV:	-8.82(-0.21)
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-(2-methoxyethyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations