Geometry & MOs

Info

ID:	203040
PubChem CID:	79767315
Reduced:	BrN3O3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	289.97246
ΔH_f, kcal/mol:	-26.16
Dipole, Da:	10.15
IP(EA), eV:	-9.36(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline

Drug info:

PubChemData

Smile

C1CNCC1C(=O)NC2=CC(=C(C=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations