Geometry & MOs

Info

ID:	239291
PubChem CID:	93166268
Reduced:	ClSN2O3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	480.127441
ΔH_f, kcal/mol:	-63.63
Dipole, Da:	4.54
IP(EA), eV:	-9.22(-0.6)
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-cyclopropylbenzamide

Drug info:

PubChemData

Smile

CCC(=O)N(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C4CC4

DOS

IR

Vibrations