Geometry & MOs

Info

ID:	372882
PubChem CID:	131306548
Reduced:	BrNSO2H4C10 (1)
Stoich.:	ABCD2E4F10 (1)
Weight, g/mol:	240.082016
ΔH_f, kcal/mol:	-2.32
Dipole, Da:	4.66
IP(EA), eV:	-9.68(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-hydroxy-2-propan-2-yl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C#N)C(=C(S2)C(=O)O)Br

DOS

IR

Vibrations