Geometry & MOs

Info

ID:

328500

PubChem CID:

126723650

Reduced:

S4O12C63H90 (1)

Stoich.:

A4B12C63D90 (1)

Weight, g/mol:

336.132136

ΔHf, kcal/mol:

-578.6

Dipole, Da:

17.76

IP(EA), eV:

 -9.46(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3aR,4R,6R,6aR)-3a-ethynyl-6-(hydroxymethyl)spiro[6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-2,1'-cyclopentane]-4-yl]-2-hydroxy-1,2-dihydropyrimidin-6-one

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC2=CC(=C(C(=C2)C(C)CC3CCCC(C3)C4=CC(=CC(=C4S(=O)(=O)OC5=CC(=C(C(=C5)C(C)C)S(=O)(=O)O)C(C)C)C6CCCCC6)C7CCCCC7)S(=O)(=O)O)C(C)C)C(C)C

DOS

IR

Vibrations