Geometry & MOs

Info

ID:

99792

PubChem CID:

50054998

Reduced:

F3O5N6H39C40 (1)

Stoich.:

A3B5C6D39E40 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-264.5

Dipole, Da:

6.19

IP(EA), eV:

 -8.8(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,5-dimethylanilino)-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=CC=C6F

DOS

IR

Vibrations