Geometry & MOs

Info

ID:	123550
PubChem CID:	50853615
Reduced:	O2N3H13C15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	34.88
Dipole, Da:	2.28
IP(EA), eV:	-8.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-(4-methylphenyl)-5-[(1-propan-2-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CN1C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3O2

DOS

IR

Vibrations