Geometry & MOs

Info

ID:	298833
PubChem CID:	117660052
Reduced:	O3H25C29 (2)
Stoich.:	A3B25C29 (2)
Weight, g/mol:	341.87478
ΔH_f, kcal/mol:	-66.08
Dipole, Da:	3.38
IP(EA), eV:	-8.26(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-1-propan-2-ylsulfonylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C=CC(=C1)C(=O)OCC2=C3C=CC=CC3=C(C4=CC=CC=C42)COCC5=CC=CC=C5)C(=O)OCC6=C7C=CC=CC7=C(C8=CC=CC=C86)COCC9=CC=CC=C9

DOS

IR

Vibrations