Geometry & MOs

Info

ID:	414941
PubChem CID:	135087921
Reduced:	O3N5C19H23 (1)
Stoich.:	A3B5C19D23 (1)
Weight, g/mol:	341.129694
ΔH_f, kcal/mol:	-57.73
Dipole, Da:	4.75
IP(EA), eV:	-9.24(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=N2)C(=O)N3C[C@H]([C@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations