Geometry & MOs

Info

ID:	39802
PubChem CID:	8142367
Reduced:	BrSN3O4C11H14 (1)
Stoich.:	ABC3D4E11F14 (1)
Weight, g/mol:	285.092042
ΔH_f, kcal/mol:	-121.6
Dipole, Da:	5.0
IP(EA), eV:	-9.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-(4-methylphenyl)iminobutan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NNC(=O)CNS(=O)(=O)C1=CC=CC=C1)Br

DOS

IR

Vibrations