Geometry & MOs

Info

ID:

104358

PubChem CID:

50104117

Reduced:

BrFO4N5C36H41 (1)

Stoich.:

ABC4D5E36F41 (1)

Weight, g/mol:

522.259068

ΔHf, kcal/mol:

-185.38

Dipole, Da:

8.49

IP(EA), eV:

 -8.73(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetamido-4-methylanilino)-2-oxoethyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C(=C5)C)C)Br

DOS

IR

Vibrations