Geometry & MOs

Info

ID:

99314

PubChem CID:

50049816

Reduced:

ClFN6O6C39H46 (1)

Stoich.:

ABC6D6E39F46 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-277.34

Dipole, Da:

14.31

IP(EA), eV:

 -8.64(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(cyclopentylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations