Geometry & MOs

Info

ID:	156444
PubChem CID:	56370660
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	405.99868
ΔH_f, kcal/mol:	-143.85
Dipole, Da:	7.83
IP(EA), eV:	-9.01(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N-(3-cyanophenyl)-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)COC(=O)N1CCC(CC1)C(=O)NC2=C(C=CC(=C2)Cl)N(C)C

DOS

IR

Vibrations