Geometry & MOs

Info

ID:	124747
PubChem CID:	50894917
Reduced:	BrSN2O6H15C16 (1)
Stoich.:	ABC2D6E15F16 (1)
Weight, g/mol:	427.024099
ΔH_f, kcal/mol:	-117.89
Dipole, Da:	9.15
IP(EA), eV:	-9.94(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-4-nitro-N-(3-nitrophenyl)sulfonylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations