Geometry & MOs

Info

ID:	33968
PubChem CID:	7889074
Reduced:	ClOSN4H15C16 (1)
Stoich.:	ABCD4E15F16 (1)
Weight, g/mol:	330.09506
ΔH_f, kcal/mol:	47.46
Dipole, Da:	5.95
IP(EA), eV:	-9.09(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-N-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)Cl)C(=O)CSC2=NN=C3N2C=CC=C3

DOS

IR

Vibrations