Geometry & MOs

Info

ID:	407162
PubChem CID:	135079486
Reduced:	BrClNO2H21C24 (1)
Stoich.:	ABCD2E21F24 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-4.95
Dipole, Da:	4.84
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE,R)-N-[1-(4-cyanophenyl)ethylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(C2=CC=CC=C2Br)C(=O)C(=C)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations