Geometry & MOs

Info

ID:

116478

PubChem CID:

50562569

Reduced:

ClFO4N5C36H41 (1)

Stoich.:

ABC4D5E36F41 (1)

Weight, g/mol:

618.235746

ΔHf, kcal/mol:

-186.5

Dipole, Da:

10.82

IP(EA), eV:

 -8.72(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-benzamido-4-methylanilino)-2-oxoethyl]-1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C)Cl

DOS

IR

Vibrations