Geometry & MOs

Info

ID:	343228
PubChem CID:	127266401
Reduced:	OF2N2H5C6 (2)
Stoich.:	AB2C2D5E6 (2)
Weight, g/mol:	343.110296
ΔH_f, kcal/mol:	-205.93
Dipole, Da:	4.46
IP(EA), eV:	-9.36(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]-4-(2-methyl-1,3-thiazol-4-yl)benzamide

Drug info:

PubChemData

Smile

CC(C1=NNC(=O)N1C)NC(=O)C2=CC(=C(C(=C2F)F)F)F

DOS

IR

Vibrations