Geometry & MOs

Info

ID:

104276

PubChem CID:

50103905

Reduced:

ClFO4N5C34H37 (1)

Stoich.:

ABC4D5E34F37 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-176.07

Dipole, Da:

10.51

IP(EA), eV:

 -8.77(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations