Geometry & MOs

Info

ID:

110262

PubChem CID:

50317784

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-245.11

Dipole, Da:

6.82

IP(EA), eV:

 -8.67(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5CCCCC5)Cl)C)F

DOS

IR

Vibrations