Geometry & MOs

Info

ID:	122978
PubChem CID:	50829485
Reduced:	SN4O5H20C23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	466.131091
ΔH_f, kcal/mol:	-64.24
Dipole, Da:	1.95
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3=CC4=C(C=C3N=C2SCC5=NC(=NO5)C6=CC=CC=C6)OCO4

DOS

IR

Vibrations