Geometry & MOs

Info

ID:

96185

PubChem CID:

50019352

Reduced:

FO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-245.24

Dipole, Da:

6.6

IP(EA), eV:

 -8.3(-0.29)

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-[3-methyl-1-oxo-1-[4-(propanoylamino)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C(C)C

DOS

IR

Vibrations