Geometry & MOs

Info

ID:

120300

PubChem CID:

50721592

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-232.44

Dipole, Da:

6.85

IP(EA), eV:

 -8.96(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4F)C

DOS

IR

Vibrations