Geometry & MOs

Info

ID:	124646
PubChem CID:	50890851
Reduced:	BrSN2O6H13C15 (1)
Stoich.:	ABC2D6E13F15 (1)
Weight, g/mol:	445.93388
ΔH_f, kcal/mol:	-117.7
Dipole, Da:	5.67
IP(EA), eV:	-9.75(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-N-(3-nitrophenyl)sulfonylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations