Geometry & MOs

Info

ID:	124717
PubChem CID:	50893839
Reduced:	ClSN3O8H10C14 (1)
Stoich.:	ABC3D8E10F14 (1)
Weight, g/mol:	429.003363
ΔH_f, kcal/mol:	-118.33
Dipole, Da:	6.84
IP(EA), eV:	-10.79(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-chloro-5-nitro-N-(3-nitrophenyl)sulfonylanilino)acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations