Geometry & MOs

Info

ID:

96948

PubChem CID:

50026279

Reduced:

FN6O6C44H49 (1)

Stoich.:

AB6C6D44E49 (1)

Weight, g/mol:

760.374847

ΔHf, kcal/mol:

-238.45

Dipole, Da:

11.64

IP(EA), eV:

 -8.63(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-methyl-3-[(4-methylbenzoyl)amino]phenyl]pyrrolidine-2-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)N4CCCC4C(=O)NC5=CC(=C(C=C5)C)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations