Geometry & MOs

Info

ID:	77870
PubChem CID:	49666006
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	398.060425
ΔH_f, kcal/mol:	-59.15
Dipole, Da:	6.57
IP(EA), eV:	-9.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2C(=O)N3C=C(C=CC3=N2)S(=O)(=O)N4CCCCCC4)C

DOS

IR

Vibrations