Geometry & MOs

Info

ID:

50681

PubChem CID:

12013257

Reduced:

S2O11H20C26 (1)

Stoich.:

A2B11C20D26 (1)

Weight, g/mol:

616.05316

ΔHf, kcal/mol:

-319.25

Dipole, Da:

4.31

IP(EA), eV:

 -9.29(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (2S,3S)-2-[5-[(2R,3R)-3,4-bis(methoxycarbonyl)-5-thiophen-2-yl-2,3-dihydrofuran-2-yl]thiophen-2-yl]-5-thiophen-2-yl-2,3-dihydrofuran-3,4-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)/C=C/C(=O)C1=CC=C(S1)C2=C(C(=C(O2)C3=CC=C(S3)C(=O)/C=C/C(=O)OC)C(=O)OC)C(=O)OC

DOS

IR

Vibrations