Geometry & MOs

Info

ID:

115946

PubChem CID:

50540756

Reduced:

ClFO5N6C40H46 (1)

Stoich.:

ABC5D6E40F46 (1)

Weight, g/mol:

744.340211

ΔHf, kcal/mol:

-231.64

Dipole, Da:

7.07

IP(EA), eV:

 -8.96(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[3-[(3-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5C)C(=O)NC6=CC(=CC=C6)F)Cl

DOS

IR

Vibrations