Geometry & MOs

Info

ID:	124727
PubChem CID:	50894160
Reduced:	ClSN3O8H12C15 (1)
Stoich.:	ABC3D8E12F15 (1)
Weight, g/mol:	419.974976
ΔH_f, kcal/mol:	-114.23
Dipole, Da:	4.11
IP(EA), eV:	-10.2(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-N-(4-fluorophenyl)sulfonyl-5-nitroanilino)propanoyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations