Geometry & MOs

Info

ID:	319606
PubChem CID:	126656777
Reduced:	SN3F4O4H25C26 (1)
Stoich.:	AB3C4D4E25F26 (1)
Weight, g/mol:	220.113316
ΔH_f, kcal/mol:	-276.05
Dipole, Da:	9.14
IP(EA), eV:	-9.06(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropyl)-1,1-dioxothian-4-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC1)COC2=C(C=C(C=C2)N3C(=S)N(C(C3(C)C)O)C4=CC(=C(C=C4)C#N)C(F)(F)F)F

DOS

IR

Vibrations