Geometry & MOs

Info

ID:	387210
PubChem CID:	134984423
Reduced:	NSO3C11H17 (1)
Stoich.:	ABC3D11E17 (1)
Weight, g/mol:	205.058637
ΔH_f, kcal/mol:	-44.67
Dipole, Da:	3.2
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-ethyl 4-O-methyl 2-nitrobutanedioate

Drug info:

PubChemData

Smile

C1=COC(=C1)CSCCCCCC[N+](=O)[O-]

DOS

IR

Vibrations