Geometry & MOs

Info

ID:	68173
PubChem CID:	46507900
Reduced:	BrSO2N3H24C26 (1)
Stoich.:	ABC2D3E24F26 (1)
Weight, g/mol:	266.036128
ΔH_f, kcal/mol:	9.37
Dipole, Da:	7.9
IP(EA), eV:	-8.71(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)sulfonyl-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C(CC(=N2)C3=CC=C(C=C3)OC)SCC(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations