Geometry & MOs

Info

ID:	416870
PubChem CID:	135090623
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	343.108959
ΔH_f, kcal/mol:	-146.53
Dipole, Da:	7.23
IP(EA), eV:	-9.26(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CCN3C=CC(=O)NC3=O)C4=C1C=CS4

DOS

IR

Vibrations