Geometry & MOs

Info

ID:	77806
PubChem CID:	49661586
Reduced:	ClFN3O4H19C23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	401.06009
ΔH_f, kcal/mol:	-117.42
Dipole, Da:	5.29
IP(EA), eV:	-9.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC1=CC=CO1)C2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2C4=CC(=C(C=C4)F)Cl

DOS

IR

Vibrations