Geometry & MOs

Info

ID:	406476
PubChem CID:	135077732
Reduced:	SO3C7H11 (2)
Stoich.:	AB3C7D11 (2)
Weight, g/mol:	445.101861
ΔH_f, kcal/mol:	-229.83
Dipole, Da:	4.09
IP(EA), eV:	-9.05(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[2-[2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)ethoxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] sulfate

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)[C@@H]2[C@@H]3[C@@H](C(O2)OC(=S)SC)OC(O3)(C)C)C

DOS

IR

Vibrations