Geometry & MOs

Info

ID:	338426
PubChem CID:	127259118
Reduced:	BrSO2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	292.976086
ΔH_f, kcal/mol:	-65.88
Dipole, Da:	2.82
IP(EA), eV:	-8.93(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-nitrophenyl)sulfonylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCSC1=CC=C(C=C1)Br

DOS

IR

Vibrations