Geometry & MOs

Info

ID:	230795
PubChem CID:	87572016
Reduced:	SN2O2F9H22C23 (1)
Stoich.:	AB2C2D9E22F23 (1)
Weight, g/mol:	266.176028
ΔH_f, kcal/mol:	-464.41
Dipole, Da:	5.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.843934
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC[N+](CC1)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N(C3CC3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations