Geometry & MOs

Info

ID:

118043

PubChem CID:

50626002

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

694.268189

ΔHf, kcal/mol:

-250.76

Dipole, Da:

0.97

IP(EA), eV:

 -9.09(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-fluoro-3-[(3-methoxybenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations