Geometry & MOs

Info

ID:	123354
PubChem CID:	50844057
Reduced:	ClOSN3C20H24 (1)
Stoich.:	ABCD3E20F24 (1)
Weight, g/mol:	482.246396
ΔH_f, kcal/mol:	-6.38
Dipole, Da:	3.94
IP(EA), eV:	-8.74(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]-3,5-dimethyl-N-(3-piperidin-1-ylpropyl)pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCSC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations