Geometry & MOs

Info

ID:	297237
PubChem CID:	117613706
Reduced:	SN3F5O5H20C29 (1)
Stoich.:	AB3C5D5E20F29 (1)
Weight, g/mol:	457.108577
ΔH_f, kcal/mol:	-319.73
Dipole, Da:	8.41
IP(EA), eV:	-9.3(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]methyl]-N'-pyrazin-2-ylprop-2-enehydrazide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=C(C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)C)C4=C(N=C(O4)C)C5=CC6=C(C=C5)OC(O6)(F)F)C(F)(F)F

DOS

IR

Vibrations