Geometry & MOs

Info

ID:

45268

PubChem CID:

10510390

Reduced:

NO3S8C18H18 (2)

Stoich.:

AB3C8D18E18 (2)

Weight, g/mol:

1105.589355

ΔHf, kcal/mol:

-35.13

Dipole, Da:

3.21

IP(EA), eV:

 -7.64(-2.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4S,5R,6R)-3,4,5,6-tetrakis[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy]oxan-2-yl]methyl 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

CSC1=C(SC(=C2SC(=C(S2)SCCOCCN3C(=O)C4=CC5=C(C=C4C3=O)C(=O)N(C5=O)CCOCCSC6=C(SC(=C7SC(=C(S7)SC)SC)S6)SC)SC)S1)SC

DOS

IR

Vibrations