Geometry & MOs

Info

ID:

101424

PubChem CID:

50064691

Reduced:

FN5O6C34H38 (1)

Stoich.:

AB5C6D34E38 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-236.21

Dipole, Da:

4.91

IP(EA), eV:

 -9.02(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations