Geometry & MOs

Info

ID:	378570
PubChem CID:	134224661
Reduced:	ON2C25H30 (1)
Stoich.:	AB2C25D30 (1)
Weight, g/mol:	276.109648
ΔH_f, kcal/mol:	7.08
Dipole, Da:	2.03
IP(EA), eV:	-8.46(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R,2S)-2-butan-2-ylcyclopropyl]-5-(3-fluorophenyl)-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CCCNCC1=NC2=C(C=C1)C=C(C=C2)OC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations