Geometry & MOs

Info

ID:

219641

PubChem CID:

85164225

Reduced:

N5O7C26H37 (1)

Stoich.:

A5B7C26D37 (1)

Weight, g/mol:

531.141686

ΔHf, kcal/mol:

-270.76

Dipole, Da:

5.96

IP(EA), eV:

 -8.85(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3a-(2-hydroxyethyl)-4-methyl-6-[(2-nitrophenyl)methoxy]-7-(2-trimethylsilylethoxymethoxy)-4,6,7,7a-tetrahydro-[1,3]oxathiolo[4,5-c]pyran-2-thione

Drug info:

PubChemData

Smile

C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OCC(=O)NC3=CC=CC=C3C4=CC=CC=C4)O)N

DOS

IR

Vibrations