Geometry & MOs

Info

ID:

109110

PubChem CID:

50273352

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

692.312247

ΔHf, kcal/mol:

-275.69

Dipole, Da:

7.97

IP(EA), eV:

 -8.81(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-[3-(phenylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F)C)F

DOS

IR

Vibrations