Geometry & MOs

Info

ID:	418077
PubChem CID:	135103486
Reduced:	ON5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	386.060629
ΔH_f, kcal/mol:	17.37
Dipole, Da:	3.9
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)C)NCCCNC2=CN=CC=C2

DOS

IR

Vibrations