Geometry & MOs

Info

ID:	420170
PubChem CID:	135111597
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	380.104208
ΔH_f, kcal/mol:	45.74
Dipole, Da:	5.35
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-hydroxy-1-[2-methyl-5-(2-methyl-1,3-oxazol-5-yl)phenyl]sulfonylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CC1=NC=CC(=C1)OC)CC2=CN=C3N2C=CC=C3

DOS

IR

Vibrations