Geometry & MOs

Info

ID:

414449

PubChem CID:

135087407

Reduced:

SO7N8C38H52 (1)

Stoich.:

AB7C8D38E52 (1)

Weight, g/mol:

321.098806

ΔHf, kcal/mol:

-268.41

Dipole, Da:

10.84

IP(EA), eV:

 -8.3(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-1-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)C5CCC(CC5)O)C

DOS

IR

Vibrations