Geometry & MOs

Info

ID:	267835
PubChem CID:	103589716
Reduced:	BrO3N5C12H12 (1)
Stoich.:	AB3C5D12E12 (1)
Weight, g/mol:	357.8662
ΔH_f, kcal/mol:	35.97
Dipole, Da:	3.99
IP(EA), eV:	-9.84(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-nitrophenyl) N-chlorosulfonylcarbamate

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br)NN

DOS

IR

Vibrations