Geometry & MOs

Info

ID:

113578

PubChem CID:

50451893

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-235.92

Dipole, Da:

4.05

IP(EA), eV:

 -8.97(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-fluoro-4-methylanilino)-3-oxopropyl]-1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)F)C)C

DOS

IR

Vibrations