Geometry & MOs

Info

ID:

95024

PubChem CID:

50005806

Reduced:

N3O3C15H20 (2)

Stoich.:

A3B3C15D20 (2)

Weight, g/mol:

568.280946

ΔHf, kcal/mol:

-223.36

Dipole, Da:

4.04

IP(EA), eV:

 -8.79(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-fluoro-5-(propanoylamino)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)OC

DOS

IR

Vibrations