Geometry & MOs

Info

ID:

416734

PubChem CID:

135090200

Reduced:

SO6N7C35H45 (1)

Stoich.:

AB6C7D35E45 (1)

Weight, g/mol:

376.14345

ΔHf, kcal/mol:

-220.16

Dipole, Da:

4.06

IP(EA), eV:

 -8.9(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCSC)C(C)C)C(=O)CCN2C=NC3=CC=CC=C3C2=O)CC4=CC=CC=C4

DOS

IR

Vibrations