Geometry & MOs

Info

ID:	234060
PubChem CID:	92297636
Reduced:	BrSN3O3C6H6 (1)
Stoich.:	ABC3D3E6F6 (1)
Weight, g/mol:	194.069142
ΔH_f, kcal/mol:	-25.84
Dipole, Da:	8.59
IP(EA), eV:	-9.86(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(N-nitrosoanilino)propanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC=C(S1)[N+](=O)[O-])Br

DOS

IR

Vibrations