Geometry & MOs

Info

ID:

90690

PubChem CID:

49971444

Reduced:

FO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

655.353383

ΔHf, kcal/mol:

-226.7

Dipole, Da:

6.73

IP(EA), eV:

 -8.78(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C)F

DOS

IR

Vibrations