Geometry & MOs

Info

ID:	16240
PubChem CID:	462633
Reduced:	N2S2O4H10C11 (1)
Stoich.:	A2B2C4D10E11 (1)
Weight, g/mol:	298.008199
ΔH_f, kcal/mol:	-27.8
Dipole, Da:	5.06
IP(EA), eV:	-8.96(-1.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[(5-nitropyridin-2-yl)oxymethyl]dithiin-3-yl]methanol

Drug info:

PubChemData

Smile

C1=CC(=NC=C1[N+](=O)[O-])OCC2=CC=C(SS2)CO

DOS

IR

Vibrations