Geometry & MOs

Info

ID:

109194

PubChem CID:

50276033

Reduced:

F3O4N5C33H36 (1)

Stoich.:

A3B4C5D33E36 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-288.41

Dipole, Da:

11.08

IP(EA), eV:

 -8.58(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-fluoroanilino)-3-oxopropyl]-1-[2-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(F)(F)F)C

DOS

IR

Vibrations