Geometry & MOs

Info

ID:

112897

PubChem CID:

50424881

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-273.45

Dipole, Da:

3.45

IP(EA), eV:

 -8.77(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4CCCCC4)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations