Geometry & MOs

Info

ID:	239191
PubChem CID:	93166115
Reduced:	ClSN2O3C26H33 (1)
Stoich.:	ABC2D3E26F33 (1)
Weight, g/mol:	510.174392
ΔH_f, kcal/mol:	-113.12
Dipole, Da:	5.12
IP(EA), eV:	-9.15(-0.53)
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-methylpropyl)-2-phenylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations