Geometry & MOs

Info

ID:	239181
PubChem CID:	93166102
Reduced:	ClSN2O3C25H33 (1)
Stoich.:	ABC2D3E25F33 (1)
Weight, g/mol:	448.158742
ΔH_f, kcal/mol:	-118.9
Dipole, Da:	4.52
IP(EA), eV:	-8.86(-0.26)
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)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations