Geometry & MOs

Info

ID:	422825
PubChem CID:	135118479
Reduced:	ClFN2O3C16H20 (1)
Stoich.:	ABC2D3E16F20 (1)
Weight, g/mol:	398.220557
ΔH_f, kcal/mol:	-176.24
Dipole, Da:	8.95
IP(EA), eV:	-9.1(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)NCC2CC(=O)N(C2)CCOC)Cl

DOS

IR

Vibrations