Geometry & MOs

Info

ID:	50062
PubChem CID:	11539118
Reduced:	ClO3N4H21C22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	424.043061
ΔH_f, kcal/mol:	-48.27
Dipole, Da:	2.69
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-(2-hydroxy-3-pyridazin-3-ylpropyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2(CC2)C3=NC4=C(N3)C=C(C=C4)Cl)N5CCOCC5=O

DOS

IR

Vibrations