Geometry & MOs

Info

ID:	295975
PubChem CID:	117548792
Reduced:	SO3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	238.039672
ΔH_f, kcal/mol:	-63.53
Dipole, Da:	4.45
IP(EA), eV:	-9.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(2-chlorophenyl)oxetan-3-yl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1C(CO1)(/C=C/C(=O)O)C2=CC=CS2

DOS

IR

Vibrations