Geometry & MOs

Info

ID:

110184

PubChem CID:

50314921

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

610.327897

ΔHf, kcal/mol:

-231.02

Dipole, Da:

3.49

IP(EA), eV:

 -8.95(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-fluoro-3-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations