Geometry & MOs

Info

ID:

108165

PubChem CID:

50233305

Reduced:

ClFO5N6C39H40 (1)

Stoich.:

ABC5D6E39F40 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-202.62

Dipole, Da:

9.41

IP(EA), eV:

 -8.79(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5C)C

DOS

IR

Vibrations