Geometry & MOs

Info

ID:	65570
PubChem CID:	46386633
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	490.092261
ΔH_f, kcal/mol:	-43.73
Dipole, Da:	5.78
IP(EA), eV:	-8.79(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=NC=CC(=N3)OC4=CC=CC(=C4)OC

DOS

IR

Vibrations