Geometry & MOs

Info

ID:

111342

PubChem CID:

50362615

Reduced:

FO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-203.23

Dipole, Da:

9.43

IP(EA), eV:

 -8.69(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C(=O)N4CCCCC4

DOS

IR

Vibrations