Geometry & MOs

Info

ID:	285202
PubChem CID:	104098624
Reduced:	FSN2O2H11C12 (1)
Stoich.:	ABC2D2E11F12 (1)
Weight, g/mol:	320.055481
ΔH_f, kcal/mol:	-6.57
Dipole, Da:	6.18
IP(EA), eV:	-8.78(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(triazol-1-yl)ethyl]-2-(trifluoromethylsulfonyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2=CC=C(S2)[N+](=O)[O-])F

DOS

IR

Vibrations