Geometry & MOs

Info

ID:	31663
PubChem CID:	855993
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	-32.91
Dipole, Da:	9.09
IP(EA), eV:	-9.06(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)O

DOS

IR

Vibrations