Geometry & MOs

Info

ID:

227015

PubChem CID:

87559651

Reduced:

SO8C24H46 (1)

Stoich.:

AB8C24D46 (1)

Weight, g/mol:

1046.595324

ΔHf, kcal/mol:

-413.43

Dipole, Da:

2.69

IP(EA), eV:

 -10.89(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[1-(4-acetyl-4-cyclohexylpiperidin-1-yl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-[2-(1H-imidazol-5-yl)ethylcarbamoyl]amino] 4-cyclohexyl-1-[2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCC.OS(=O)(=O)O

DOS

IR

Vibrations