Geometry & MOs

Info

ID:	68893
PubChem CID:	46511417
Reduced:	FOS2N5H10C12 (1)
Stoich.:	ABC2D5E10F12 (1)
Weight, g/mol:	416.023553
ΔH_f, kcal/mol:	58.13
Dipole, Da:	3.79
IP(EA), eV:	-9.02(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-phenyl-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NN=C(S3)N)F

DOS

IR

Vibrations