Geometry & MOs

Info

ID:	298798
PubChem CID:	117656925
Reduced:	SO6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	352.025289
ΔH_f, kcal/mol:	-220.49
Dipole, Da:	6.05
IP(EA), eV:	-9.41(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-formyloxy-4-hydroxyphenyl)sulfonyloxybenzoate

Drug info:

PubChemData

Smile

CC(C)CCOC(=O)C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)O

DOS

IR

Vibrations