Geometry & MOs

Info

ID:

108075

PubChem CID:

50229269

Reduced:

O5N6C34H48 (1)

Stoich.:

A5B6C34D48 (1)

Weight, g/mol:

610.327897

ΔHf, kcal/mol:

-226.11

Dipole, Da:

6.42

IP(EA), eV:

 -8.79(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-(2-methylbutanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC)C)C

DOS

IR

Vibrations