Geometry & MOs

Info

ID:

108169

PubChem CID:

50233458

Reduced:

BrFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

710.302825

ΔHf, kcal/mol:

-189.37

Dipole, Da:

4.31

IP(EA), eV:

 -8.82(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[5-[(4-fluorophenyl)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=C(C=C(C(=C4)C)C)Br)C

DOS

IR

Vibrations