Geometry & MOs

Info

ID:

119847

PubChem CID:

50704712

Reduced:

ClFN6O6C35H40 (1)

Stoich.:

ABC6D6E35F40 (1)

Weight, g/mol:

694.268189

ΔHf, kcal/mol:

-247.93

Dipole, Da:

3.79

IP(EA), eV:

 -9.12(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-fluoro-5-[(2-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)OC)F

DOS

IR

Vibrations