Geometry & MOs

Info

ID:	231925
PubChem CID:	87574922
Reduced:	FSN6O8C24H33 (1)
Stoich.:	ABC6D8E24F33 (1)
Weight, g/mol:	488.026547
ΔH_f, kcal/mol:	-296.64
Dipole, Da:	12.33
IP(EA), eV:	-8.31(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[5-(trifluoromethyl)isoquinolin-3-yl] sulfate

Drug info:

PubChemData

Smile

CN1CCCC1=O.CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.CS(=O)(=O)O

DOS

IR

Vibrations