Geometry & MOs

Info

ID:

102529

PubChem CID:

50068032

Reduced:

FO5N6C43H53 (1)

Stoich.:

AB5C6D43E53 (1)

Weight, g/mol:

762.354111

ΔHf, kcal/mol:

-247.97

Dipole, Da:

6.61

IP(EA), eV:

 -8.5(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-[(4-methoxybenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6CCCCC6)C)F

DOS

IR

Vibrations