Geometry & MOs

Info

ID:	416413
PubChem CID:	135089426
Reduced:	SN3O5C12H19 (1)
Stoich.:	AB3C5D12E19 (1)
Weight, g/mol:	393.109149
ΔH_f, kcal/mol:	-157.73
Dipole, Da:	4.11
IP(EA), eV:	-9.77(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=NO1)C(=O)N2C[C@H]([C@H](C2)O)CS(=O)(=O)N(C)C

DOS

IR

Vibrations