Geometry & MOs

Info

ID:	410295
PubChem CID:	135083086
Reduced:	NPH8C11 (1)
Stoich.:	ABC8D11 (1)
Weight, g/mol:	276.103145
ΔH_f, kcal/mol:	61.73
Dipole, Da:	3.16
IP(EA), eV:	-7.99(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6S,6aS)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-thiol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN3C2=PC=C3

DOS

IR

Vibrations