Geometry & MOs

Info

ID:	396054
PubChem CID:	135027311
Reduced:	BrSO2H13C17 (1)
Stoich.:	ABC2D13E17 (1)
Weight, g/mol:	300.04563
ΔH_f, kcal/mol:	-26.31
Dipole, Da:	2.92
IP(EA), eV:	-8.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl benzo[f][1]benzothiole-2,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C=C(C=C3)Br)C(=O)OC

DOS

IR

Vibrations