Geometry & MOs

Info

ID:

98947

PubChem CID:

50047588

Reduced:

F2N6O6C39H40 (1)

Stoich.:

A2B6C6D39E40 (1)

Weight, g/mol:

660.307161

ΔHf, kcal/mol:

-259.76

Dipole, Da:

11.39

IP(EA), eV:

 -8.62(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-methoxy-3-(propanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations