Geometry & MOs

Info

ID:	220340
PubChem CID:	85177313
Reduced:	SN2O2H10C12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	246.146724
ΔH_f, kcal/mol:	42.9
Dipole, Da:	4.79
IP(EA), eV:	-9.23(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-methylhex-5-ene-1,2,4-triol

Drug info:

PubChemData

Smile

CON=CC1=NSC(=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations