Geometry & MOs

Info

ID:

109803

PubChem CID:

50297783

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-235.65

Dipole, Da:

10.23

IP(EA), eV:

 -8.73(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)NC(=O)C5CCCCC5)C)F

DOS

IR

Vibrations