Geometry & MOs

Info

ID:

119610

PubChem CID:

50693598

Reduced:

ClO4N5C33H36 (1)

Stoich.:

AB4C5D33E36 (1)

Weight, g/mol:

766.304574

ΔHf, kcal/mol:

-122.59

Dipole, Da:

3.8

IP(EA), eV:

 -8.87(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations