Geometry & MOs

Info

ID:	33946
PubChem CID:	7888935
Reduced:	OSN4H20C22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	341.094646
ΔH_f, kcal/mol:	79.8
Dipole, Da:	7.43
IP(EA), eV:	-9.06(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2R)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoyl]amino]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)SC3=NN=C4N3C=CC=C4

DOS

IR

Vibrations