Geometry & MOs

Info

ID:	124726
PubChem CID:	50894102
Reduced:	SN2Cl3O6H11C15 (1)
Stoich.:	AB2C3D6E11F15 (1)
Weight, g/mol:	429.003363
ΔH_f, kcal/mol:	-131.07
Dipole, Da:	7.39
IP(EA), eV:	-9.9(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations