Geometry & MOs

Info

ID:	312925
PubChem CID:	126609993
Reduced:	ClSO2N3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	333.033876
ΔH_f, kcal/mol:	28.38
Dipole, Da:	4.1
IP(EA), eV:	-8.6(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations