Geometry & MOs

Info

ID:	55278
PubChem CID:	17389993
Reduced:	BrSN3O4C9H10 (1)
Stoich.:	ABC3D4E9F10 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-109.46
Dipole, Da:	3.06
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CN=C(N2)N)Br.OS(=O)(=O)O

DOS

IR

Vibrations