Geometry & MOs

Info

ID:

96674

PubChem CID:

50023395

Reduced:

FN6O6C39H49 (1)

Stoich.:

AB6C6D39E49 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-270.2

Dipole, Da:

9.32

IP(EA), eV:

 -8.62(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-methyl-3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations