Geometry & MOs

Info

ID:

110873

PubChem CID:

50342508

Reduced:

O4N5C35H49 (1)

Stoich.:

A4B5C35D49 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-183.21

Dipole, Da:

7.2

IP(EA), eV:

 -8.84(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorophenyl)methylcarbamoyl]-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=CC=CC(=C3C)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations