Geometry & MOs

Info

ID:

112139

PubChem CID:

50396593

Reduced:

F3N5O5C34H44 (1)

Stoich.:

A3B5C5D34E44 (1)

Weight, g/mol:

593.337733

ΔHf, kcal/mol:

-378.81

Dipole, Da:

9.21

IP(EA), eV:

 -9.07(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]-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)NC(C)C(=O)NC4=CC=CC=C4OC(F)(F)F)C

DOS

IR

Vibrations