Geometry & MOs

Info

ID:

92069

PubChem CID:

49982468

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

597.312661

ΔHf, kcal/mol:

-176.28

Dipole, Da:

4.75

IP(EA), eV:

 -8.91(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,6-difluoroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations