Geometry & MOs

Info

ID:	411700
PubChem CID:	135084534
Reduced:	O4C13H18 (1)
Stoich.:	A4B13C18 (1)
Weight, g/mol:	198.035065
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	0.59
IP(EA), eV:	-10.13(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-phenylethenesulfonate

Drug info:

PubChemData

Smile

CCC1(O[C@H]([C@@H](O1)C#CCO)C#CCO)CC

DOS

IR

Vibrations