Geometry & MOs

Info

ID:	31844
PubChem CID:	3720855
Reduced:	SN2O3F4H12C17 (1)
Stoich.:	AB2C3D4E12F17 (1)
Weight, g/mol:	438.086364
ΔH_f, kcal/mol:	-247.76
Dipole, Da:	10.3
IP(EA), eV:	-8.85(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-2-(2,3,4,5,6-pentafluorophenoxy)acetamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC(=CC=C3)OC(C(F)F)(F)F)N=CC=C2

DOS

IR

Vibrations