Geometry & MOs

Info

ID:	429824
PubChem CID:	135169877
Reduced:	ClOSF3N9H11C20 (1)
Stoich.:	ABCD3E9F11G20 (1)
Weight, g/mol:	152.032088
ΔH_f, kcal/mol:	28.87
Dipole, Da:	4.79
IP(EA), eV:	-9.39(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxy 2-hydroxypropan-2-yloxy carbonate

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CN=C2C#N)N=C(/C(=C\N)/C(=O)NC3=CC(=C(N=C3)N4N=CC=N4)Cl)C(F)(F)F

DOS

IR

Vibrations