Geometry & MOs

Info

ID:	143025
PubChem CID:	53134819
Reduced:	SO4N5C29H33 (1)
Stoich.:	AB4C5D29E33 (1)
Weight, g/mol:	396.995776
ΔH_f, kcal/mol:	-81.78
Dipole, Da:	6.01
IP(EA), eV:	-8.54(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=NN3C(=CC(=NC3=C2C4=CC(=C(C=C4)OC)S(=O)(=O)NC5CCCC5)C)C)C

DOS

IR

Vibrations