Geometry & MOs

Info

ID:	13626
PubChem CID:	396307
Reduced:	OSN4H12C18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	332.073182
ΔH_f, kcal/mol:	110.11
Dipole, Da:	2.07
IP(EA), eV:	-8.94(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cinnamylideneamino)-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC=NC2=NN3C(=O)C4=CC=CC=C4N=C3S2

DOS

IR

Vibrations