Geometry & MOs

Info

ID:	373563
PubChem CID:	131317276
Reduced:	BrFN2O2C10H12 (1)
Stoich.:	ABC2D2E10F12 (1)
Weight, g/mol:	261.94512
ΔH_f, kcal/mol:	-119.89
Dipole, Da:	6.15
IP(EA), eV:	-9.43(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-6-hydroxy-2-nitrobenzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC(=C(N=C1)F)Br

DOS

IR

Vibrations