Geometry & MOs

Info

ID:	416215
PubChem CID:	135089225
Reduced:	SN3O5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	393.168856
ΔH_f, kcal/mol:	-170.15
Dipole, Da:	3.61
IP(EA), eV:	-9.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-3-hydroxy-1-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N[C@H]2COC[C@H]2CS(=O)(=O)N(C)C)C

DOS

IR

Vibrations