Geometry & MOs

Info

ID:

113658

PubChem CID:

50454063

Reduced:

FN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-289.85

Dipole, Da:

8.59

IP(EA), eV:

 -8.82(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)NC)OC)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations