Geometry & MOs

Info

ID:

110868

PubChem CID:

50342443

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

601.306433

ΔHf, kcal/mol:

-182.74

Dipole, Da:

3.68

IP(EA), eV:

 -8.86(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]-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(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations