Geometry & MOs

Info

ID:

100530

PubChem CID:

50062208

Reduced:

FN6O6C42H51 (1)

Stoich.:

AB6C6D42E51 (1)

Weight, g/mol:

768.401062

ΔHf, kcal/mol:

-276.56

Dipole, Da:

10.73

IP(EA), eV:

 -8.73(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]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)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6CCCCC6)OC

DOS

IR

Vibrations