Geometry & MOs

Info

ID:	121883
PubChem CID:	50785186
Reduced:	SO3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	453.11069
ΔH_f, kcal/mol:	-55.26
Dipole, Da:	4.38
IP(EA), eV:	-9.04(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(benzenesulfonyl)-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCOCC4

DOS

IR

Vibrations