Geometry & MOs

Info

ID:	239541
PubChem CID:	93166662
Reduced:	ClN2S2O3C25H27 (1)
Stoich.:	AB2C2D3E25F27 (1)
Weight, g/mol:	526.169306
ΔH_f, kcal/mol:	-63.43
Dipole, Da:	4.77
IP(EA), eV:	-8.73(-1.0)
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]-4-methoxy-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=CS4

DOS

IR

Vibrations