Geometry & MOs

Info

ID:	419051
PubChem CID:	135107389
Reduced:	N5O6C28H41 (1)
Stoich.:	A5B6C28D41 (1)
Weight, g/mol:	287.072449
ΔH_f, kcal/mol:	-243.22
Dipole, Da:	7.47
IP(EA), eV:	-9.46(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-[(2-chloro-4-fluorophenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@H]1C(=O)N(CCNC(=O)COC2=CC=C(C[C@@H](C(=O)NCCCC(=O)N1)NC(=O)C3CC3)C=C2)C

DOS

IR

Vibrations