Geometry & MOs

Info

ID:	147677
PubChem CID:	53787334
Reduced:	NO2F3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	269.033349
ΔH_f, kcal/mol:	-178.69
Dipole, Da:	6.82
IP(EA), eV:	-8.94(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(trifluoromethyl)phenyl]ethylsulfamic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)O)C1=CC2=C(C=C1)N(C=C2)CC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations