Geometry & MOs

Info

ID:	371772
PubChem CID:	131271601
Reduced:	BrN2O4H5C7 (1)
Stoich.:	AB2C4D5E7 (1)
Weight, g/mol:	239.061614
ΔH_f, kcal/mol:	-63.03
Dipole, Da:	6.53
IP(EA), eV:	-9.69(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-(2-methylpropyl)-6-oxo-4,5-dihydrothieno[2,3-c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1N)Br)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations