Geometry & MOs

Info

ID:	132785
PubChem CID:	51420614
Reduced:	OSN4C20H20 (1)
Stoich.:	ABC4D20E20 (1)
Weight, g/mol:	362.078387
ΔH_f, kcal/mol:	51.58
Dipole, Da:	9.26
IP(EA), eV:	-8.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN/C=C/1\C(=NN(C1=O)[C@@H]2NC3=CC=CC=C3S2)C4=CC=CC=C4

DOS

IR

Vibrations