Geometry & MOs

Info

ID:	423758
PubChem CID:	135120164
Reduced:	SN3O4C14H21 (1)
Stoich.:	AB3C4D14E21 (1)
Weight, g/mol:	327.114044
ΔH_f, kcal/mol:	-143.56
Dipole, Da:	5.51
IP(EA), eV:	-9.87(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations