Geometry & MOs

Info

ID:	37418
PubChem CID:	8020871
Reduced:	N2O7C20H26 (1)
Stoich.:	A2B7C20D26 (1)
Weight, g/mol:	379.052587
ΔH_f, kcal/mol:	-227.54
Dipole, Da:	5.97
IP(EA), eV:	-9.87(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-O-[2-(2-fluorophenyl)sulfanylethyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)[C@@H](C)OC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

DOS

IR

Vibrations