Geometry & MOs

Info

ID:

101434

PubChem CID:

50064701

Reduced:

F2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

605.281361

ΔHf, kcal/mol:

-221.88

Dipole, Da:

15.38

IP(EA), eV:

 -8.82(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-(2-methylbutanoylamino)phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations