Geometry & MOs

Info

ID:

112308

PubChem CID:

50401639

Reduced:

N3O3C19H25 (2)

Stoich.:

A3B3C19D25 (2)

Weight, g/mol:

651.262375

ΔHf, kcal/mol:

-235.45

Dipole, Da:

7.36

IP(EA), eV:

 -8.65(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)N5CCOCC5)C(=O)N6CCCCC6

DOS

IR

Vibrations