Geometry & MOs

Info

ID:

168906

PubChem CID:

75040471

Reduced:

N4O7C11H18 (1)

Stoich.:

A4B7C11D18 (1)

Weight, g/mol:

752.435741

ΔHf, kcal/mol:

-280.6

Dipole, Da:

5.98

IP(EA), eV:

 -9.97(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2-[3-[tert-butyl(dimethyl)silyl]oxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-trimethylsilyloxycyclopentyl]ethylsulfanyl]butanoate

Drug info:

PubChemData

Smile

C(C1(C(C(C23C(C1OC(=O)C2O)C(N=C(N3)N)N)O)O)O)O

DOS

IR

Vibrations