Geometry & MOs

Info

ID:

93046

PubChem CID:

49991118

Reduced:

F2O4N5C36H41 (1)

Stoich.:

A2B4C5D36E41 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-227.08

Dipole, Da:

10.48

IP(EA), eV:

 -8.93(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(diethylcarbamoyl)-2-methylphenyl]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=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations