Geometry & MOs

Info

ID:	423072
PubChem CID:	135118871
Reduced:	FON4C14H15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	358.94557
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	2.61
IP(EA), eV:	-9.25(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(4,5-dichlorothiophen-2-yl)sulfonyl-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CO1)NC2=NC=C(C=N2)F)CC3=CC=NC=C3

DOS

IR

Vibrations