Geometry & MOs

Info

ID:

110871

PubChem CID:

50342501

Reduced:

O4N5C35H43 (1)

Stoich.:

A4B5C35D43 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-141.97

Dipole, Da:

4.18

IP(EA), eV:

 -8.72(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4C)C)C

DOS

IR

Vibrations