Geometry & MOs

Info

ID:	239544
PubChem CID:	93166669
Reduced:	ClSN2O3C27H29 (1)
Stoich.:	ABC2D3E27F29 (1)
Weight, g/mol:	496.158742
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	5.48
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chloro-3-methylphenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations