Geometry & MOs

Info

ID:

103154

PubChem CID:

50070473

Reduced:

ClFO4N5C37H37 (1)

Stoich.:

ABC4D5E37F37 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-149.3

Dipole, Da:

1.9

IP(EA), eV:

 -8.75(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations