Geometry & MOs

Info

ID:	122979
PubChem CID:	50829486
Reduced:	SN4O5H22C23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	471.100125
ΔH_f, kcal/mol:	-66.38
Dipole, Da:	0.93
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3CCCOC)OCO5

DOS

IR

Vibrations