Geometry & MOs

Info

ID:	416461
PubChem CID:	135089474
Reduced:	NO4C20H31 (1)
Stoich.:	AB4C20D31 (1)
Weight, g/mol:	357.124609
ΔH_f, kcal/mol:	-183.84
Dipole, Da:	6.53
IP(EA), eV:	-9.32(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-(3-methoxyphenyl)sulfonyl-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CCOC1=C(C=CC=C1C)C)C(=O)[C@@H]2CC[C@@H]([C@@H](C2)OC)O

DOS

IR

Vibrations