Geometry & MOs

Info

ID:	361695
PubChem CID:	127304410
Reduced:	SO2N6C17H20 (1)
Stoich.:	AB2C6D17E20 (1)
Weight, g/mol:	398.170253
ΔH_f, kcal/mol:	51.22
Dipole, Da:	5.47
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-oxoethyl]-1H-quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)C3=NNC(=C3)C4=CC=CS4

DOS

IR

Vibrations