Geometry & MOs

Info

ID:	325168
PubChem CID:	126681730
Reduced:	FSO4N5C39H48 (1)
Stoich.:	ABC4D5E39F48 (1)
Weight, g/mol:	302.145285
ΔH_f, kcal/mol:	-121.04
Dipole, Da:	4.57
IP(EA), eV:	-8.27(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[1-(4-cyanophenyl)-3-cyclopropylpropylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)C(=O)NC2=C(C=CC(=C2)C(CCC3CC3)(C4=CC=CC=C4)N[S@@](=O)C(C)(C)C)F)C5=CC=CC(=C5)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations