Geometry & MOs

Info

ID:	69050
PubChem CID:	46516664
Reduced:	FOSN4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	422.121275
ΔH_f, kcal/mol:	47.04
Dipole, Da:	3.88
IP(EA), eV:	-9.1(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-3-prop-2-enylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CCCSC3=NC=NC4=CC=CC=C43)F

DOS

IR

Vibrations