Geometry & MOs

Info

ID:	132189
PubChem CID:	51318052
Reduced:	OSN5C12H19 (1)
Stoich.:	ABC5D12E19 (1)
Weight, g/mol:	328.056088
ΔH_f, kcal/mol:	4.53
Dipole, Da:	4.95
IP(EA), eV:	-9.1(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-fluorophenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SCC(=O)NC(C)(C#N)C(C)C

DOS

IR

Vibrations