Geometry & MOs

Info

ID:	33887
PubChem CID:	7888605
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	336.024788
ΔH_f, kcal/mol:	37.8
Dipole, Da:	4.2
IP(EA), eV:	-9.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-fluorophenyl)-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