Geometry & MOs

Info

ID:	77856
PubChem CID:	49664947
Reduced:	ClFO2N4H14C18 (1)
Stoich.:	ABC2D4E14F18 (1)
Weight, g/mol:	416.051003
ΔH_f, kcal/mol:	-60.11
Dipole, Da:	5.09
IP(EA), eV:	-9.13(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CC(=O)N1CC(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC=CC=N3

DOS

IR

Vibrations