Geometry & MOs

Info

ID:	33888
PubChem CID:	7888607
Reduced:	ClFOSN4H10C14 (1)
Stoich.:	ABCDE4F10G14 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	5.47
Dipole, Da:	4.34
IP(EA), eV:	-9.3(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1=CC2=NN=C(N2C=C1)SCC(=O)NC3=C(C=CC(=C3)Cl)F

DOS

IR

Vibrations