Geometry & MOs

Info

ID:	216571
PubChem CID:	85086439
Reduced:	O2C19H22 (1)
Stoich.:	A2B19C22 (1)
Weight, g/mol:	282.04967
ΔH_f, kcal/mol:	-54.9
Dipole, Da:	1.51
IP(EA), eV:	-8.25(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-sulfanylpropyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8-diene-10,12-dione

Drug info:

PubChemData

Smile

CCC1C(C(C2=CC(=C(C=C12)OC)O)C3=CC=CC=C3)C

DOS

IR

Vibrations