Geometry & MOs

Info

ID:	226491
PubChem CID:	87457539
Reduced:	BrS2O3N6C22H25 (1)
Stoich.:	AB2C3D6E22F25 (1)
Weight, g/mol:	396.114219
ΔH_f, kcal/mol:	-20.42
Dipole, Da:	6.87
IP(EA), eV:	-8.43(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-methylimidazol-3-ium;4,4,5,5,5-pentafluoropentyl sulfate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)/N=[S@@](\C)/C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCCNC(=O)C)Br

DOS

IR

Vibrations