Geometry & MOs

Info

ID:

109950

PubChem CID:

50302922

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-166.75

Dipole, Da:

7.31

IP(EA), eV:

 -8.55(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4)Cl)C(=O)N(C)C

DOS

IR

Vibrations