Geometry & MOs

Info

ID:

117296

PubChem CID:

50597968

Reduced:

ClFO5N6C43H46 (1)

Stoich.:

ABC5D6E43F46 (1)

Weight, g/mol:

780.320224

ΔHf, kcal/mol:

-213.56

Dipole, Da:

5.21

IP(EA), eV:

 -8.8(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC6=CC=CC=C6C)C

DOS

IR

Vibrations