Geometry & MOs

Info

ID:

97607

PubChem CID:

50033015

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

640.337319

ΔHf, kcal/mol:

-228.34

Dipole, Da:

10.72

IP(EA), eV:

 -8.62(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations