Geometry & MOs

Info

ID:	416360
PubChem CID:	135089373
Reduced:	ClO2N5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	343.108959
ΔH_f, kcal/mol:	21.58
Dipole, Da:	5.99
IP(EA), eV:	-9.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(2-ethoxy-5-methylphenyl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=NN=C1CCNC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

DOS

IR

Vibrations