Geometry & MOs

Info

ID:	26531
PubChem CID:	651358
Reduced:	F2O2N5C22H23 (1)
Stoich.:	A2B2C5D22E23 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-77.46
Dipole, Da:	6.03
IP(EA), eV:	-8.66(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=C(C=NN3C(=C2)C(F)F)C(=O)N4CCN5CCCC5C4

DOS

IR

Vibrations