Geometry & MOs

Info

ID:	227953
PubChem CID:	87563120
Reduced:	FSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	348.990164
ΔH_f, kcal/mol:	-80.81
Dipole, Da:	3.33
IP(EA), eV:	-8.93(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-2-(trifluoromethyl)phenyl]sulfonylethyl hydrogen sulfate

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NC(=C(S2)N[C@H](C3=CC=C(C=C3)F)C(C=O)NC(=O)O)C

DOS

IR

Vibrations