Geometry & MOs

Info

ID:

100952

PubChem CID:

50064207

Reduced:

ClFN5O5C34H37 (1)

Stoich.:

ABC5D5E34F37 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-213.11

Dipole, Da:

6.32

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclopentylcarbamoyl)phenyl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations