Geometry & MOs

Info

ID:

104388

PubChem CID:

50104194

Reduced:

FO5N6C31H33 (1)

Stoich.:

AB5C6D31E33 (1)

Weight, g/mol:

606.240224

ΔHf, kcal/mol:

-200.72

Dipole, Da:

8.4

IP(EA), eV:

 -8.84(-0.52)

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-[(4-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=CC=C4)F

DOS

IR

Vibrations