Geometry & MOs

Info

ID:	65579
PubChem CID:	46386642
Reduced:	SN4O4H24C25 (1)
Stoich.:	AB4C4D24E25 (1)
Weight, g/mol:	476.076611
ΔH_f, kcal/mol:	-34.42
Dipole, Da:	1.19
IP(EA), eV:	-8.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-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

CCC1=CC=C(C=C1)C2=NOC(=N2)CSC3=NC4=CC5=C(C=C4C(=O)N3C6CCCC6)OCO5

DOS

IR

Vibrations