Geometry & MOs

Info

ID:	218702
PubChem CID:	85089834
Reduced:	ClFSN3O4H17C24 (1)
Stoich.:	ABCD3E4F17G24 (1)
Weight, g/mol:	499.99219
ΔH_f, kcal/mol:	-109.03
Dipole, Da:	7.08
IP(EA), eV:	-9.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4,5-bis(4-bromophenyl)imidazolidin-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=NS2(=O)=O)C3C(=O)C(N(C3=O)CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F

DOS

IR

Vibrations