Geometry & MOs

Info

ID:	136765
PubChem CID:	52096655
Reduced:	FSO2N6C25H25 (1)
Stoich.:	ABC2D6E25F25 (1)
Weight, g/mol:	433.146013
ΔH_f, kcal/mol:	-21.83
Dipole, Da:	5.2
IP(EA), eV:	-8.56(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[1-[2-(2,6-dimethylphenoxy)ethyl]-2-methylindol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=CC=C5F

DOS

IR

Vibrations