Geometry & MOs

Info

ID:	294372
PubChem CID:	117454787
Reduced:	BrN2O3H7C10 (1)
Stoich.:	AB2C3D7E10 (1)
Weight, g/mol:	281.952035
ΔH_f, kcal/mol:	-14.49
Dipole, Da:	5.26
IP(EA), eV:	-9.08(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-4H-1,3-benzodioxin-7-yl)methanesulfonyl chloride

Drug info:

PubChemData

Smile

C1OC2=CC(=CC(=C2O1)C3=NOC(=C3)N)Br

DOS

IR

Vibrations