Geometry & MOs

Info

ID:	364045
PubChem CID:	127313716
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	22.3
Dipole, Da:	3.79
IP(EA), eV:	-8.42(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCC5=CN=CN=C5C4

DOS

IR

Vibrations