Geometry & MOs

Info

ID:	57299
PubChem CID:	22395612
Reduced:	KSO4C6H6 (1)
Stoich.:	ABC4D6E6 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-182.61
Dipole, Da:	11.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.997519
Charge, e:	0

Chem-info

IUPAC name:

1-ethenyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-hydroxyethyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1O)S(=O)(=O)O.[K+]

DOS

IR

Vibrations