Geometry & MOs

Info

ID:	326875
PubChem CID:	126688482
Reduced:	O4N5H19C21 (1)
Stoich.:	A4B5C19D21 (1)
Weight, g/mol:	195.998166
ΔH_f, kcal/mol:	-49.96
Dipole, Da:	10.23
IP(EA), eV:	-8.57(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;3,3-difluoro-2-methylpropane-1-sulfonate

Drug info:

PubChemData

Smile

C1COC(=O)N1C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CC=CC(=C4)C#N)CCCO

DOS

IR

Vibrations