Geometry & MOs

Info

ID:	287926
PubChem CID:	104299538
Reduced:	BrSO3N4C12H13 (1)
Stoich.:	ABC3D4E12F13 (1)
Weight, g/mol:	315.00255
ΔH_f, kcal/mol:	-56.83
Dipole, Da:	4.79
IP(EA), eV:	-9.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(2-chloroethyl)-N-cyclopropyl-3-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=NN(C=C2S(=O)(=O)N)C)Br

DOS

IR

Vibrations