Geometry & MOs

Info

ID:	132190
PubChem CID:	51318054
Reduced:	ClFOSN4C13H14 (1)
Stoich.:	ABCDE4F13G14 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-40.32
Dipole, Da:	6.69
IP(EA), eV:	-8.78(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NN1)SC(C)C(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations