Geometry & MOs

Info

ID:	294043
PubChem CID:	117424815
Reduced:	SO3C14H20 (1)
Stoich.:	AB3C14D20 (1)
Weight, g/mol:	268.025084
ΔH_f, kcal/mol:	-115.03
Dipole, Da:	3.73
IP(EA), eV:	-8.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(3-amino-2H-1,2-oxazol-5-ylidene)-7-chloro-2,3-dihydro-1,4-benzodioxin-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCCO)OC2CCSC2

DOS

IR

Vibrations