Geometry & MOs

Info

ID:	50073
PubChem CID:	12012573
Reduced:	O5C9H12 (1)
Stoich.:	A5B9C12 (1)
Weight, g/mol:	594.105196
ΔH_f, kcal/mol:	-195.55
Dipole, Da:	2.78
IP(EA), eV:	-10.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-bis[(4-methylphenyl)sulfonyloxymethyl]cyclopropyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)C1[C@@H]([C@@H]1C(=O)OC)C(=O)OC

DOS

IR

Vibrations