Geometry & MOs

Info

ID:	418320
PubChem CID:	135104186
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	345.088223
ΔH_f, kcal/mol:	-125.18
Dipole, Da:	6.15
IP(EA), eV:	-9.55(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CCN2CC3(CCN(CC3)C(=O)C4=CN=CC=C4)OCCC2=O

DOS

IR

Vibrations