Geometry & MOs

Info

ID:	148852
PubChem CID:	53788521
Reduced:	S2C3H8O8 (1)
Stoich.:	A2B3C8D8 (1)
Weight, g/mol:	276.172545
ΔH_f, kcal/mol:	-349.42
Dipole, Da:	2.45
IP(EA), eV:	-11.83(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(5-methoxypent-4-enyl)benzoate

Drug info:

PubChemData

Smile

CCC(OS(=O)(=O)O)OS(=O)(=O)O

DOS

IR

Vibrations