Geometry & MOs

Info

ID:	217638
PubChem CID:	85088145
Reduced:	ClSN3O3C17H22 (1)
Stoich.:	ABC3D3E17F22 (1)
Weight, g/mol:	383.017472
ΔH_f, kcal/mol:	-34.7
Dipole, Da:	3.06
IP(EA), eV:	-8.97(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dichloromethyl)-4-nitrophenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC(C)(COC1C=CC(=S)N=N1)NCC(COC2=CC=CC=C2Cl)O

DOS

IR

Vibrations