Geometry & MOs

Info

ID:	15930
PubChem CID:	455478
Reduced:	ClOSN3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	329.038961
ΔH_f, kcal/mol:	82.25
Dipole, Da:	1.02
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-cyclopropyl-4-[2-(1,3-thiazol-2-yl)ethynyl]-1,3-dihydroquinazolin-2-one

Drug info:

PubChemData

Smile

C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=NC=CS4

DOS

IR

Vibrations