Geometry & MOs

Info

ID:	31662
PubChem CID:	855992
Reduced:	SO2N4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	13.93
Dipole, Da:	7.08
IP(EA), eV:	-8.92(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)C3=CC=C(C=C3)O

DOS

IR

Vibrations