Geometry & MOs

Info

ID:	192423
PubChem CID:	78267345
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	436.97523
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	5.14
IP(EA), eV:	-8.99(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methylsulfonylpyrimidin-4-yl)-2-(6-chloro-4-oxo-6H-quinazolin-2-yl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N3C4CNC(NC4C(=O)C(C3N2)C#N)N5CCCC5

DOS

IR

Vibrations