Geometry & MOs

Info

ID:	381957
PubChem CID:	134972832
Reduced:	O2S4F6H21C32 (1)
Stoich.:	A2B4C6D21E32 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-234.33
Dipole, Da:	5.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.313036
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-3-phenyl-1-oxa-2-azaspiro[4.5]deca-2,6-dien-8-one

Drug info:

PubChemData

Smile

CCC/C(=C(\CCC)/C1=CC2=C(S1)[C+]=CC3=C2C=C(S3)C(=O)C(F)(F)F)/C4=CC5=C(S4)C=CC6=C5C=C(S6)C(=O)C(F)(F)F

DOS

IR

Vibrations