Geometry & MOs

Info

ID:	239493
PubChem CID:	93166577
Reduced:	ClSN2O3C23H29 (1)
Stoich.:	ABC2D3E23F29 (1)
Weight, g/mol:	496.158742
ΔH_f, kcal/mol:	-114.62
Dipole, Da:	4.54
IP(EA), eV:	-8.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations