Geometry & MOs

Info

ID:	375196
PubChem CID:	131472829
Reduced:	BrSO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-92.18
Dipole, Da:	6.09
IP(EA), eV:	-9.34(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-3-(2-methylpropyl)pyrrolo[2,1-b][1,3]thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

C1=C2C=C(SC2=CC(=C1Br)CC(=O)O)O

DOS

IR

Vibrations