Geometry & MOs

Info

ID:	430645
PubChem CID:	135170711
Reduced:	ON2S2F5C7H7 (1)
Stoich.:	AB2C2D5E7F7 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-265.29
Dipole, Da:	3.65
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) ethyl carbonate

Drug info:

PubChemData

Smile

CC1=NC(=NS1)SCCOC(C(F)(F)F)(F)F

DOS

IR

Vibrations