Geometry & MOs

Info

ID:

189495

PubChem CID:

77865906

Reduced:

ClN2O3C24H35 (1)

Stoich.:

AB2C3D24E35 (1)

Weight, g/mol:

659.339115

ΔHf, kcal/mol:

-181.89

Dipole, Da:

4.57

IP(EA), eV:

 -9.14(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-[[3-(2-butoxyethyl)-5-methylidene-2,4-dioxopyrimidin-1-ium-1-yl]methoxy]-1,4-bis[(2-methylpropan-2-yl)oxycarbonyloxy]butan-2-yl] tert-butyl carbonate

Drug info:

PubChemData

Smile

CC1(CN(CCC1C2=CC=C(C=C2)Cl)C(=O)C3CCCC3NC(=O)OC(C)(C)C)C

DOS

IR

Vibrations