Geometry & MOs

Info

ID:	217079
PubChem CID:	85087213
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	330.088557
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	7.34
IP(EA), eV:	-9.31(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-amino-N-hydroxybenzenecarboximidothioate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C=CC=CC2=CC3=C(C=C2[N+](=O)[O-])OCO3

DOS

IR

Vibrations