Geometry & MOs

Info

ID:

109368

PubChem CID:

50281932

Reduced:

BrClFO4N5C34H36 (1)

Stoich.:

ABCD4E5F34G36 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-173.55

Dipole, Da:

5.22

IP(EA), eV:

 -8.98(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[2-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)Cl

DOS

IR

Vibrations