Geometry & MOs

Info

ID:	420995
PubChem CID:	135115177
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	352.989149
ΔH_f, kcal/mol:	-28.94
Dipole, Da:	5.03
IP(EA), eV:	-8.74(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2,4-dichlorophenyl)sulfonyl-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CCCCOC2=CC=CC=C2)O)CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations