Geometry & MOs

Info

ID:	142154
PubChem CID:	52991633
Reduced:	FSCl2O2N3C19H22 (1)
Stoich.:	ABC2D2E3F19G22 (1)
Weight, g/mol:	478.020407
ΔH_f, kcal/mol:	-73.24
Dipole, Da:	0.87
IP(EA), eV:	-8.92(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CN(CCCC1CC(NN1)C2=CC=C(C=C2)F)S(=O)(=O)C3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations