Geometry & MOs

Info

ID:	228400
PubChem CID:	87564208
Reduced:	N2S2O5H8C12 (1)
Stoich.:	A2B2C5D8E12 (1)
Weight, g/mol:	149.032422
ΔH_f, kcal/mol:	7.78
Dipole, Da:	8.97
IP(EA), eV:	-8.97(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-hydroperoxy-2-oxoethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])SC2=C(C=C(S2)CC=O)[N+](=O)[O-]

DOS

IR

Vibrations