Geometry & MOs

Info

ID:

48699

PubChem CID:

11110635

Reduced:

SO7C15H18 (1)

Stoich.:

AB7C15D18 (1)

Weight, g/mol:

594.218192

ΔHf, kcal/mol:

-266.94

Dipole, Da:

4.81

IP(EA), eV:

 -9.48(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (7S,10R,15R,18S)-28-hydroxy-26-methyl-8,17-dioxo-12,13-dithia-3,9,16,22-tetrazatetracyclo[22.3.1.03,7.018,22]octacosa-1(27),24(28),25-triene-10,15-dicarboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)OC(=O)C1=CC=C(C=C1)OCCCCOC(=O)C=C

DOS

IR

Vibrations