Geometry & MOs

Info

ID:	381557
PubChem CID:	134972329
Reduced:	N2O5C27H32 (1)
Stoich.:	A2B5C27D32 (1)
Weight, g/mol:	344.092974
ΔH_f, kcal/mol:	-76.6
Dipole, Da:	1.93
IP(EA), eV:	-9.17(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4S,6R,6aS)-4-hydroxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H]([C@@H](C(N1O)NO)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations