Geometry & MOs

Info

ID:	124624
PubChem CID:	50889976
Reduced:	SN2O6C18H20 (1)
Stoich.:	AB2C6D18E20 (1)
Weight, g/mol:	378.088557
ΔH_f, kcal/mol:	-137.82
Dipole, Da:	6.62
IP(EA), eV:	-9.2(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-methyl-N-(3-nitrophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC(=O)OC(C)C)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations