Geometry & MOs

Info

ID:

96620

PubChem CID:

50022930

Reduced:

FO4N5C36H44 (1)

Stoich.:

AB4C5D36E44 (1)

Weight, g/mol:

631.316998

ΔHf, kcal/mol:

-198.26

Dipole, Da:

6.45

IP(EA), eV:

 -8.65(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(2-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations