Geometry & MOs

Info

ID:

111992

PubChem CID:

50390067

Reduced:

ClO4N5C37H44 (1)

Stoich.:

AB4C5D37E44 (1)

Weight, g/mol:

579.322083

ΔHf, kcal/mol:

-153.25

Dipole, Da:

6.72

IP(EA), eV:

 -8.86(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-fluoroanilino)-2-oxoethyl]-1-[1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)Cl)C

DOS

IR

Vibrations