Geometry & MOs

Info

ID:

92339

PubChem CID:

49985187

Reduced:

FO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

664.374847

ΔHf, kcal/mol:

-260.24

Dipole, Da:

10.22

IP(EA), eV:

 -8.53(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[4-fluoro-3-(2-methylbutanoylamino)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C

DOS

IR

Vibrations