Geometry & MOs

Info

ID:

106705

PubChem CID:

50173138

Reduced:

BrClO4N5C32H39 (1)

Stoich.:

ABC4D5E32F39 (1)

Weight, g/mol:

646.384269

ΔHf, kcal/mol:

-159.18

Dipole, Da:

7.42

IP(EA), eV:

 -8.9(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Br)Cl

DOS

IR

Vibrations