Geometry & MOs

Info

ID:

94321

PubChem CID:

49999657

Reduced:

FN6O6C43H55 (1)

Stoich.:

AB6C6D43E55 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-288.17

Dipole, Da:

2.08

IP(EA), eV:

 -8.7(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(2-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations