Geometry & MOs

Info

ID:	127182
PubChem CID:	50993545
Reduced:	S2O3H12C14 (1)
Stoich.:	A2B3C12D14 (1)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-40.02
Dipole, Da:	3.13
IP(EA), eV:	-8.99(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5R,6aR)-2,2-dimethyl-5-[(Z)-2-phenylethenyl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

C1CSCC23C(=O)C4=CC=CC=C4C(=O)C2(O3)SC1

DOS

IR

Vibrations