Geometry & MOs

Info

ID:	417326
PubChem CID:	135092126
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	367.004799
ΔH_f, kcal/mol:	-28.51
Dipole, Da:	4.46
IP(EA), eV:	-9.61(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-(4,5-dichloro-2-methylphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)C(=O)C4=CC(=CN=C4)O

DOS

IR

Vibrations