Geometry & MOs

Info

ID:

215005

PubChem CID:

85083983

Reduced:

ClISO4N6H22C25 (1)

Stoich.:

ABCD4E6F22G25 (1)

Weight, g/mol:

664.361543

ΔHf, kcal/mol:

-11.19

Dipole, Da:

4.57

IP(EA), eV:

 -9.05(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-acetyloxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-2-methylprop-1-enyl]-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CNC(=O)C1CC(C(O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)OC(=S)OC5=CC=CC=C5

DOS

IR

Vibrations