Geometry & MOs

Info

ID:	236820
PubChem CID:	92714806
Reduced:	SO2N5C15H15 (1)
Stoich.:	AB2C5D15E15 (1)
Weight, g/mol:	420.026618
ΔH_f, kcal/mol:	8.32
Dipole, Da:	3.37
IP(EA), eV:	-8.97(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-benzylidene-2-[[(1R)-2,2-dichlorocyclopropyl]methylsulfanyl]-3-(4-fluorophenyl)imidazol-4-one

Drug info:

PubChemData

Smile

C1CSC2=NN=C(N21)NC(=O)[C@H]3CC(=O)N(C3)C4=CC=CC=C4

DOS

IR

Vibrations