Geometry & MOs

Info

ID:

95573

PubChem CID:

50010392

Reduced:

O4N5C26H33 (1)

Stoich.:

A4B5C26D33 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-143.79

Dipole, Da:

13.44

IP(EA), eV:

 -9.24(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)N

DOS

IR

Vibrations