Geometry & MOs

Info

ID:	314096
PubChem CID:	126620393
Reduced:	FO2H23C25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	339.04444
ΔH_f, kcal/mol:	-48.86
Dipole, Da:	1.12
IP(EA), eV:	-8.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[5-(4-chlorophenyl)furan-2-yl]-1,2,4-triazolidin-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C2=CC=C(C=C2)CC(C)C3=CC=C(O3)C4=CC(=CC=C4)F

DOS

IR

Vibrations