Geometry & MOs

Info

ID:

109966

PubChem CID:

50303366

Reduced:

FO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-209.79

Dipole, Da:

8.76

IP(EA), eV:

 -8.82(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(C)C

DOS

IR

Vibrations