Geometry & MOs

Info

ID:	239301
PubChem CID:	93166281
Reduced:	ClSN2O3C27H27 (1)
Stoich.:	ABC2D3E27F27 (1)
Weight, g/mol:	494.143092
ΔH_f, kcal/mol:	-41.31
Dipole, Da:	5.46
IP(EA), eV:	-8.98(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4S)-4-[(4-chlorophenoxy)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-cyclopropyl-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CC1N(CC(=O)N2CCC3=C([C@@H]2COC4=CC=C(C=C4)Cl)C=CS3)C(=O)CC5=CC=CC=C5

DOS

IR

Vibrations