Geometry & MOs

Info

ID:	122977
PubChem CID:	50829484
Reduced:	SN4O4H22C23 (1)
Stoich.:	AB4C4D22E23 (1)
Weight, g/mol:	464.115441
ΔH_f, kcal/mol:	-31.63
Dipole, Da:	2.23
IP(EA), eV:	-8.96(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(oxolan-2-ylmethyl)-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-[1,3]dioxolo[4,5-g]quinazolin-8-one

Drug info:

PubChemData

Smile

CCCCCN1C(=O)C2=CC3=C(C=C2N=C1SCC4=NC(=NO4)C5=CC=CC=C5)OCO3

DOS

IR

Vibrations