Geometry & MOs

Info

ID:	239311
PubChem CID:	93166296
Reduced:	ClN2S2O4C25H27 (1)
Stoich.:	AB2C2D4E25F27 (1)
Weight, g/mol:	492.184956
ΔH_f, kcal/mol:	-93.05
Dipole, Da:	3.32
IP(EA), eV:	-9.06(-0.5)
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-(3-methoxypropyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

COCCCN(CC(=O)N1CCC2=C([C@H]1COC3=CC=C(C=C3)Cl)C=CS2)C(=O)C4=CC=CS4

DOS

IR

Vibrations