Geometry & MOs

Info

ID:	132941
PubChem CID:	51449023
Reduced:	SF2N3O3C24H25 (1)
Stoich.:	AB2C3D3E24F25 (1)
Weight, g/mol:	348.091906
ΔH_f, kcal/mol:	-184.4
Dipole, Da:	6.64
IP(EA), eV:	-8.98(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(2-methoxyphenyl)-5-[(3R)-5-phenyl-3H-pyrazol-3-yl]-1,2,4-triazole-3-thiolate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC(F)F

DOS

IR

Vibrations