Geometry & MOs

Info

ID:	124748
PubChem CID:	50894918
Reduced:	ClSN3O7H14C16 (1)
Stoich.:	ABC3D7E14F16 (1)
Weight, g/mol:	409.057986
ΔH_f, kcal/mol:	-85.23
Dipole, Da:	5.1
IP(EA), eV:	-10.46(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-4-nitro-N-(3-nitrophenyl)sulfonylanilino)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations