Geometry & MOs

Info

ID:	124191
PubChem CID:	50874202
Reduced:	SO3H9C11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	488.185983
ΔH_f, kcal/mol:	-160.03
Dipole, Da:	7.31
IP(EA), eV:	-8.8(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione

Drug info:

PubChemData

Smile

CCOC1=CC=CC2=C1OC(=O)C(=C2)SSC3=CC4=C(C(=CC=C4)OCC)OC3=O

DOS

IR

Vibrations