Geometry & MOs

Info

ID:	422642
PubChem CID:	135118180
Reduced:	S2N3O3C16H19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	357.168856
ΔH_f, kcal/mol:	-62.82
Dipole, Da:	4.68
IP(EA), eV:	-8.76(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC(=C2)C(=O)O)CC3=CN=C(S3)N4CCOCC4

DOS

IR

Vibrations