Geometry & MOs

Info

ID:	141466
PubChem CID:	52880323
Reduced:	ClSF3N4C16H16 (1)
Stoich.:	ABC3D4E16F16 (1)
Weight, g/mol:	444.072395
ΔH_f, kcal/mol:	-97.57
Dipole, Da:	6.57
IP(EA), eV:	-8.9(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-propan-2-ylphenyl)methylsulfanyl]-5-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]-1,3,4-thiadiazole

Drug info:

PubChemData

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CCCN1C2=C(C=C(C=C2)Cl)N=C1SCC3=NC=CN3CC(F)(F)F

DOS

IR

Vibrations