Geometry & MOs

Info

ID:	77801
PubChem CID:	49661563
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	367.099063
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	1.64
IP(EA), eV:	-8.9(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-3-phenyl-2-(1,3-thiazolidin-3-yl)quinazoline-7-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)N3CCSCC3)C4=CC=CC=C4

DOS

IR

Vibrations