Geometry & MOs

Info

ID:

104389

PubChem CID:

50104195

Reduced:

F2O5N6C31H32 (1)

Stoich.:

A2B5C6D31E32 (1)

Weight, g/mol:

606.240224

ΔHf, kcal/mol:

-245.48

Dipole, Da:

5.04

IP(EA), eV:

 -8.88(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)F

DOS

IR

Vibrations