Geometry & MOs

Info

ID:	122989
PubChem CID:	50829526
Reduced:	BrSN4O4H15C21 (1)
Stoich.:	ABC4D4E15F21 (1)
Weight, g/mol:	484.120526
ΔH_f, kcal/mol:	2.72
Dipole, Da:	3.16
IP(EA), eV:	-8.93(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C(=O)C3=CC4=C(C=C3N=C2SCC5=NC(=NO5)C6=CC=CC=C6Br)OCO4

DOS

IR

Vibrations