Geometry & MOs

Info

ID:

90334

PubChem CID:

49968753

Reduced:

O4N5C37H51 (1)

Stoich.:

A4B5C37D51 (1)

Weight, g/mol:

692.406147

ΔHf, kcal/mol:

-183.61

Dipole, Da:

6.04

IP(EA), eV:

 -8.37(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(C)C

DOS

IR

Vibrations