Geometry & MOs

Info

ID:	342317
PubChem CID:	127265094
Reduced:	SO2N3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	104.18
Dipole, Da:	5.98
IP(EA), eV:	-9.84(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-oxo-2-[2-(1,3-thiazol-5-yl)ethenyl]quinazolin-3-yl]butanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=CC2=CN=CS2)C3=CC=NC=C3)[N+](=O)[O-]

DOS

IR

Vibrations