Geometry & MOs

Info

ID:

114862

PubChem CID:

50499665

Reduced:

FCl2O4N5C34H36 (1)

Stoich.:

AB2C4D5E34F36 (1)

Weight, g/mol:

748.374847

ΔHf, kcal/mol:

-186.54

Dipole, Da:

0.56

IP(EA), eV:

 -8.89(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)Cl)C)F

DOS

IR

Vibrations