Geometry & MOs

Info

ID:	122991
PubChem CID:	50829547
Reduced:	ClSN4O4H19C23 (1)
Stoich.:	ABC4D4E19F23 (1)
Weight, g/mol:	464.115441
ΔH_f, kcal/mol:	-30.13
Dipole, Da:	2.11
IP(EA), eV:	-8.96(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C3=CC4=C(C=C3N=C2SCC5=NC(=NO5)C6=CC=C(C=C6)Cl)OCO4

DOS

IR

Vibrations