Geometry & MOs

Info

ID:	50705
PubChem CID:	12013284
Reduced:	PN2O5C20H27 (1)
Stoich.:	AB2C5D20E27 (1)
Weight, g/mol:	186.017307
ΔH_f, kcal/mol:	-193.28
Dipole, Da:	7.0
IP(EA), eV:	-8.89(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,3-dithiolan-2-yl)furan

Drug info:

PubChemData

Smile

CCOP(=O)(NCCOC1=CC=C(C=C1)/C(=N\OC)/C2=CC=CC=C2)OCC

DOS

IR

Vibrations