Geometry & MOs

Info

ID:	26329
PubChem CID:	644500
Reduced:	ClO2S2F3N5H15C18 (1)
Stoich.:	AB2C2D3E5F15G18 (1)
Weight, g/mol:	416.105545
ΔH_f, kcal/mol:	-151.28
Dipole, Da:	10.73
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SCC2=NN=C(O2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)C

DOS

IR

Vibrations