Geometry & MOs

Info

ID:

97179

PubChem CID:

50028388

Reduced:

FN6O7C41H51 (1)

Stoich.:

AB6C7D41E51 (1)

Weight, g/mol:

756.401062

ΔHf, kcal/mol:

-310.23

Dipole, Da:

14.32

IP(EA), eV:

 -8.64(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations