Geometry & MOs

Info

ID:	124719
PubChem CID:	50893883
Reduced:	NSCl2O4H19C21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	316.072907
ΔH_f, kcal/mol:	-121.27
Dipole, Da:	4.85
IP(EA), eV:	-8.84(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(N-ethylsulfonyl-2-methyl-4-nitroanilino)acetate

Drug info:

PubChemData

Smile

CC(C)OC(=O)CN(C1=CC=CC2=CC=CC=C21)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations