Geometry & MOs

Info

ID:	142633
PubChem CID:	53069266
Reduced:	ClFSO3N4H10C13 (1)
Stoich.:	ABCD3E4F10G13 (1)
Weight, g/mol:	357.15896
ΔH_f, kcal/mol:	-60.14
Dipole, Da:	10.62
IP(EA), eV:	-8.74(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-phenylethyl)-3-(triazolo[4,5-b]pyridin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1=NN/C(=C\2/C=C(C=N2)S(=O)(=O)NC3=C(C=C(C=C3)F)Cl)/O1

DOS

IR

Vibrations