Geometry & MOs

Info

ID:

105900

PubChem CID:

50141883

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-185.07

Dipole, Da:

5.83

IP(EA), eV:

 -8.96(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=CC(=C4)F)C)C

DOS

IR

Vibrations