Geometry & MOs

Info

ID:

107711

PubChem CID:

50216031

Reduced:

FO5N6C43H47 (1)

Stoich.:

AB5C6D43E47 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-198.53

Dipole, Da:

9.06

IP(EA), eV:

 -8.27(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[4-methyl-3-[(3-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=C(C=C5)C(=O)NCC6=CC=C(C=C6)F)C

DOS

IR

Vibrations