Geometry & MOs

Info

ID:	158758
PubChem CID:	56468328
Reduced:	FSO4N6C17H19 (1)
Stoich.:	ABC4D6E17F19 (1)
Weight, g/mol:	438.127423
ΔH_f, kcal/mol:	-82.43
Dipole, Da:	3.9
IP(EA), eV:	-9.78(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(O3)S(=O)(=O)NC(C)(C)C)F

DOS

IR

Vibrations