Geometry & MOs

Info

ID:	391938
PubChem CID:	135011150
Reduced:	I2S2H12C15 (1)
Stoich.:	A2B2C12D15 (1)
Weight, g/mol:	132.078644
ΔH_f, kcal/mol:	104.8
Dipole, Da:	3.2
IP(EA), eV:	-8.79(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-prop-1-enyl]propane-1,2,3-triol

Drug info:

PubChemData

Smile

C1C/C(=C(/I)\C2=CC=CS2)/C(=C(\I)/C3=CC=CS3)/C1

DOS

IR

Vibrations