Geometry & MOs

Info

ID:	381023
PubChem CID:	134971648
Reduced:	NSO4C25H31 (1)
Stoich.:	ABC4D25E31 (1)
Weight, g/mol:	321.139865
ΔH_f, kcal/mol:	-132.71
Dipole, Da:	3.06
IP(EA), eV:	-8.38(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-hydroxy-8a-[[(S)-(4-methylphenyl)sulfinyl]methyl]-1,2,3,4,4a,5,7,8-octahydroquinolin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@@](=O)CC23CCC4(CC2[C@H](CCN3)O)OCC5=CC=CC=C5CO4

DOS

IR

Vibrations