Geometry & MOs

Info

ID:

109571

PubChem CID:

50288929

Reduced:

ClF2O5N6C40H41 (1)

Stoich.:

AB2C5D6E40F41 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-246.12

Dipole, Da:

12.08

IP(EA), eV:

 -8.49(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations