Geometry & MOs

Info

ID:	318481
PubChem CID:	126651490
Reduced:	BrNOC6H8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	317.039165
ΔH_f, kcal/mol:	25.92
Dipole, Da:	2.45
IP(EA), eV:	-9.72(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-2-methylsulfonyl-4-(6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)butanoic acid

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](N1)CO)C#CBr

DOS

IR

Vibrations