Geometry & MOs

Info

ID:	33886
PubChem CID:	7888603
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	340.135782
ΔH_f, kcal/mol:	36.66
Dipole, Da:	4.47
IP(EA), eV:	-8.85(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@@H](C)NC(=O)CSC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations