Geometry & MOs

Info

ID:	189281
PubChem CID:	77837495
Reduced:	SO5C20H22 (1)
Stoich.:	AB5C20D22 (1)
Weight, g/mol:	453.08452
ΔH_f, kcal/mol:	-160.57
Dipole, Da:	5.41
IP(EA), eV:	-8.94(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1C(COC(O1)(C2=CC=C(C=C2)O)C3=CSC=C3)CC=CCCC(=O)O

DOS

IR

Vibrations