Geometry & MOs

Info

ID:

99912

PubChem CID:

50056184

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

664.280946

ΔHf, kcal/mol:

-286.44

Dipole, Da:

7.57

IP(EA), eV:

 -8.52(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-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(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)NC(=O)CC5=CC=C(C=C5)F)C

DOS

IR

Vibrations