Geometry & MOs

Info

ID:	298797
PubChem CID:	117656924
Reduced:	SO6C16H16 (1)
Stoich.:	AB6C16D16 (1)
Weight, g/mol:	364.09806
ΔH_f, kcal/mol:	-213.31
Dipole, Da:	5.65
IP(EA), eV:	-9.39(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylbutyl 2-(4-hydroxyphenyl)sulfonyloxybenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations