Geometry & MOs

Info

ID:

92133

PubChem CID:

49983250

Reduced:

FO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

650.359197

ΔHf, kcal/mol:

-260.25

Dipole, Da:

5.31

IP(EA), eV:

 -8.8(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C)F

DOS

IR

Vibrations