Geometry & MOs

Info

ID:	312924
PubChem CID:	126609989
Reduced:	SF3N3O3H12C16 (1)
Stoich.:	AB3C3D3E12F16 (1)
Weight, g/mol:	333.033876
ΔH_f, kcal/mol:	-174.15
Dipole, Da:	5.56
IP(EA), eV:	-8.89(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[5-(3-chlorophenyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol

Drug info:

PubChemData

Smile

CC(=O)CSC1=NNC(=N1)C2=CC=C(O2)C3=CC(=CC=C3)OC(F)(F)F

DOS

IR

Vibrations