Geometry & MOs

Info

ID:	67890
PubChem CID:	46507373
Reduced:	ClSO2N5H16C23 (1)
Stoich.:	ABC2D5E16F23 (1)
Weight, g/mol:	441.125946
ΔH_f, kcal/mol:	49.02
Dipole, Da:	6.69
IP(EA), eV:	-9.05(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-(1-phenylethyl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)SC(=N3)NC4=CC=CC(=C4)C(=O)NCC5=CC(=CC=C5)Cl

DOS

IR

Vibrations