Geometry & MOs

Info

ID:	166327
PubChem CID:	74671115
Reduced:	Cl2O2S3N4H10C14 (1)
Stoich.:	A2B2C3D4E10F14 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	53.64
Dipole, Da:	2.75
IP(EA), eV:	-9.34(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methoxy-5-(4-oxo-2-sulfanylidene-4aH-quinazolin-3-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CNC(=O)CSC2=NC(=O)C(N=N2)C3=C(SC(=C3)Cl)Cl

DOS

IR

Vibrations