Geometry & MOs

Info

ID:	338894
PubChem CID:	127259905
Reduced:	SO4H18C20 (1)
Stoich.:	AB4C18D20 (1)
Weight, g/mol:	244.073559
ΔH_f, kcal/mol:	-86.38
Dipole, Da:	4.67
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(hydroxymethyl)phenyl] phenyl carbonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2)OC3=CC=CC=C3

DOS

IR

Vibrations