Geometry & MOs

Info

ID:	122988
PubChem CID:	50829525
Reduced:	SN4O5C24H24 (1)
Stoich.:	AB4C5D24E24 (1)
Weight, g/mol:	497.99974
ΔH_f, kcal/mol:	-70.6
Dipole, Da:	1.87
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3CCCOC)OCO5

DOS

IR

Vibrations