Geometry & MOs

Info

ID:

118350

PubChem CID:

50639229

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-256.01

Dipole, Da:

6.23

IP(EA), eV:

 -8.71(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[4-fluoro-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations