Geometry & MOs

Info

ID:	123583
PubChem CID:	50854928
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	381.14887
ΔH_f, kcal/mol:	-22.62
Dipole, Da:	5.27
IP(EA), eV:	-8.24(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[(1-cyclohexylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

COCCCN1C(=O)/C(=C\C2=CN(C=C2)C3CCCCC3)/SC1=NC4=CC=CC=C4

DOS

IR

Vibrations