Geometry & MOs

Info

ID:	177342
PubChem CID:	76170050
Reduced:	O3C5H8 (4)
Stoich.:	A3B5C8 (4)
Weight, g/mol:	299.072848
ΔH_f, kcal/mol:	-525.38
Dipole, Da:	5.07
IP(EA), eV:	-10.25(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-11-thia-1,6,13-triazapentacyclo[13.2.2.02,14.04,12.05,10]nonadeca-2(14),3,5,8,12-pentaen-7-one

Drug info:

PubChemData

Smile

CCCCCCCC(=O)C(C(C1C(=C(C(=O)O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O

DOS

IR

Vibrations