Geometry & MOs

Info

ID:	149071
PubChem CID:	53788742
Reduced:	OC12H16 (1)
Stoich.:	AB12C16 (1)
Weight, g/mol:	359.949089
ΔH_f, kcal/mol:	-31.01
Dipole, Da:	1.93
IP(EA), eV:	-8.8(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-3-sulfooxy-2-(sulfooxymethyl)propyl] hydrogen sulfate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)CC=C)O

DOS

IR

Vibrations