Geometry & MOs

Info

ID:

113431

PubChem CID:

50445263

Reduced:

F2O4N5C36H41 (1)

Stoich.:

A2B4C5D36E41 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-230.51

Dipole, Da:

4.85

IP(EA), eV:

 -9.02(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)-6-methylphenyl]-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2CCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations