Geometry & MOs

Info

ID:	197344
PubChem CID:	78953587
Reduced:	BrS3N4H5C7 (1)
Stoich.:	AB3C4D5E7 (1)
Weight, g/mol:	223.048072
ΔH_f, kcal/mol:	109.81
Dipole, Da:	5.58
IP(EA), eV:	-8.45(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-ylmethylideneamino)oxyacetic acid

Drug info:

PubChemData

Smile

CSC1=NN=C(S1)SC2=NC=C(C=N2)Br

DOS

IR

Vibrations