Geometry & MOs

Info

ID:

112094

PubChem CID:

50394371

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-276.76

Dipole, Da:

4.43

IP(EA), eV:

 -8.96(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-fluoro-5-[(3-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)F)C(=O)NC5CCCCC5

DOS

IR

Vibrations