Geometry & MOs

Info

ID:

108548

PubChem CID:

50249229

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

696.287175

ΔHf, kcal/mol:

-184.84

Dipole, Da:

5.4

IP(EA), eV:

 -8.79(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,5-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations