Geometry & MOs

Info

ID:	226342
PubChem CID:	87350459
Reduced:	SO4C19H22 (1)
Stoich.:	AB4C19D22 (1)
Weight, g/mol:	254.170207
ΔH_f, kcal/mol:	-151.06
Dipole, Da:	6.5
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)COC2=CC=CC(=C2)C(CCC(=O)O)(O)S

DOS

IR

Vibrations