Geometry & MOs

Info

ID:

92806

PubChem CID:

49989665

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

678.390497

ΔHf, kcal/mol:

-256.03

Dipole, Da:

9.89

IP(EA), eV:

 -8.2(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-fluoro-5-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C

DOS

IR

Vibrations