Geometry & MOs

Info

ID:	373938
PubChem CID:	131321520
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	233.05105
ΔH_f, kcal/mol:	-85.88
Dipole, Da:	5.04
IP(EA), eV:	-9.12(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-1,2-dihydrothieno[3,2-e]indole-7-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1O)C=C(S2)Br)CC(=O)O

DOS

IR

Vibrations