Geometry & MOs

Info

ID:	336967
PubChem CID:	127256532
Reduced:	ClNSO5C6H8 (1)
Stoich.:	ABCD5E6F8 (1)
Weight, g/mol:	343.083806
ΔH_f, kcal/mol:	-203.82
Dipole, Da:	1.58
IP(EA), eV:	-8.55(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aR,4R,6R,6aR)-2,2-dimethyl-4-(3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N)O.OS(=O)(=O)O

DOS

IR

Vibrations