Geometry & MOs

Info

ID:

114423

PubChem CID:

50482242

Reduced:

F2O5N6C36H42 (1)

Stoich.:

A2B5C6D36E42 (1)

Weight, g/mol:

593.22051

ΔHf, kcal/mol:

-270.89

Dipole, Da:

9.94

IP(EA), eV:

 -8.86(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloroanilino)-3-oxopropyl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=C(C=C4)F)F

DOS

IR

Vibrations