Geometry & MOs

Info

ID:	375372
PubChem CID:	131500124
Reduced:	NOF2H2C4 (2)
Stoich.:	ABC2D2E4 (2)
Weight, g/mol:	336.87867
ΔH_f, kcal/mol:	-233.8
Dipole, Da:	2.97
IP(EA), eV:	-10.0(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-bromo-6-(trifluoromethyl)benzenesulfonyl chloride

Drug info:

PubChemData

Smile

C1=C(C(=C(C(=O)N1)F)CC#N)OC(F)(F)F

DOS

IR

Vibrations