Geometry & MOs

Info

ID:	298782
PubChem CID:	117656685
Reduced:	SN5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	491.163014
ΔH_f, kcal/mol:	82.14
Dipole, Da:	3.82
IP(EA), eV:	-8.83(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-(2,3-dihydroxypropyl)-3-methyl-1-(2-oxopentan-3-yl)piperidin-2-one

Drug info:

PubChemData

Smile

CCNC(=S)N/N=C/C1=NC=CN=C1

DOS

IR

Vibrations