Geometry & MOs

Info

ID:

120412

PubChem CID:

50726119

Reduced:

ClFN6O6C39H40 (1)

Stoich.:

ABC6D6E39F40 (1)

Weight, g/mol:

742.268189

ΔHf, kcal/mol:

-218.3

Dipole, Da:

7.9

IP(EA), eV:

 -8.73(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-[4-fluoro-3-[(2-methoxybenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations