Geometry & MOs

Info

ID:

93123

PubChem CID:

49991773

Reduced:

BrClO4N5C32H41 (1)

Stoich.:

ABC4D5E32F41 (1)

Weight, g/mol:

653.25767

ΔHf, kcal/mol:

-177.06

Dipole, Da:

9.95

IP(EA), eV:

 -9.04(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-bromo-2-methylanilino)-1-oxopropan-2-yl]-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)Cl

DOS

IR

Vibrations