Geometry & MOs

Info

ID:	314099
PubChem CID:	126620397
Reduced:	S2O6N9C22H23 (1)
Stoich.:	A2B6C9D22E23 (1)
Weight, g/mol:	295.07391
ΔH_f, kcal/mol:	-67.7
Dipole, Da:	7.92
IP(EA), eV:	-8.92(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[6-(2-hydroxyethylamino)pyridin-3-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1C2=NC(=NN2)SCC(=O)O)CC3CN(CCO3)C4=C(C=CC=N4)C5=NC(=NN5)SCC(=O)O

DOS

IR

Vibrations