Geometry & MOs

Info

ID:

109459

PubChem CID:

50284917

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

722.322811

ΔHf, kcal/mol:

-233.98

Dipole, Da:

7.31

IP(EA), eV:

 -8.72(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-fluoro-5-[(2-methoxybenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl)C)F

DOS

IR

Vibrations