Geometry & MOs

Info

ID:

220063

PubChem CID:

85165200

Reduced:

NO8C38H45 (1)

Stoich.:

AB8C38D45 (1)

Weight, g/mol:

643.317659

ΔHf, kcal/mol:

-308.16

Dipole, Da:

5.36

IP(EA), eV:

 -9.2(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(4-methoxyphenyl)methoxy]hex-1-en-3-yl] 4-nitrobenzoate

Drug info:

PubChemData

Smile

CCCCC(=O)OC1CC2C(CCC3C2(COC(O3)C4=CC=CC=C4C)C)(C5C1(OC6=C(C5O)C(=O)OC(=C6)C7=CN=CC=C7)C)C

DOS

IR

Vibrations