Geometry & MOs

Info

ID:

417657

PubChem CID:

135102397

Reduced:

N6O8C39H50 (1)

Stoich.:

A6B8C39D50 (1)

Weight, g/mol:

345.104622

ΔHf, kcal/mol:

-240.1

Dipole, Da:

23.89

IP(EA), eV:

 -8.12(-2.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-1-(4-fluorophenyl)sulfonyl-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](COC2=CC=C(C[C@@H](C(=O)N1)NC(=O)C3=C(NC(=C3C)C(=O)C)C)C=C2)CC4=CC=CC=C4)C(C)C)[C@@H](C)O

DOS

IR

Vibrations