Geometry & MOs

Info

ID:	239438
PubChem CID:	93166489
Reduced:	ClSN2O3C28H31 (1)
Stoich.:	ABC2D3E28F31 (1)
Weight, g/mol:	510.174392
ΔH_f, kcal/mol:	-74.09
Dipole, Da:	4.06
IP(EA), eV:	-9.08(-0.42)
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-methylbutyl)benzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations