Geometry & MOs

Info

ID:

93216

PubChem CID:

49992564

Reduced:

FN5O5C37H44 (1)

Stoich.:

AB5C5D37E44 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-221.22

Dipole, Da:

10.79

IP(EA), eV:

 -8.49(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations