Geometry & MOs

Info

ID:	37415
PubChem CID:	8020805
Reduced:	NSO4H17C22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	399.131802
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	6.05
IP(EA), eV:	-8.92(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-methyl 3-O-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3C4=CC=CC5=C4C(=CC=C5)S3(=O)=O

DOS

IR

Vibrations