Geometry & MOs

Info

ID:	443668
PubChem CID:	135259719
Reduced:	O3N6C27H28 (1)
Stoich.:	A3B6C27D28 (1)
Weight, g/mol:	301.063346
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	7.05
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)sulfanyl]-2-phenylacetic acid

Drug info:

PubChemData

Smile

C[C@H]1C[C@H](C2=C(N1C=C=O)C=CC(=C2)C3=CN=C(C=C3)C(=O)N4CCOCC4)NC5=NC=C(N=C5)C

DOS

IR

Vibrations