Geometry & MOs

Info

ID:

92040

PubChem CID:

49982091

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-223.04

Dipole, Da:

13.48

IP(EA), eV:

 -8.83(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations