Geometry & MOs

Info

ID:	444707
PubChem CID:	135263293
Reduced:	NSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	294.085186
ΔH_f, kcal/mol:	-146.07
Dipole, Da:	9.76
IP(EA), eV:	-8.98(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[2-(ethylamino)-2-oxoacetyl]-3-nitrophenyl]acetate

Drug info:

PubChemData

Smile

CS(=O)(=O)CCC1=CNC2=C1C=C(C=C2)CC(=O)O

DOS

IR

Vibrations