Geometry & MOs

Info

ID:	329395
PubChem CID:	126736078
Reduced:	PF2N4O8C21H23 (1)
Stoich.:	AB2C4D8E21F23 (1)
Weight, g/mol:	420.047951
ΔH_f, kcal/mol:	-438.23
Dipole, Da:	6.27
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-ethylsulfanyl-5-(trifluoromethyl)pyridin-2-yl]-5-[4-(trifluoromethyl)pyridin-2-yl]-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1NC2=C(O1)C=CC(=C2)C(=O)NC3=NC(=O)N(C=C3)C4C([C@H]5[C@H](O4)COP(=O)(O5)OC(C)C)(F)F

DOS

IR

Vibrations