Geometry & MOs

Info

ID:	30002
PubChem CID:	838842
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-17.17
Dipole, Da:	4.9
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5S)-5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl]-2-phenylethanethione

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)O)O)C3=CC=CC=C3

DOS

IR

Vibrations