Geometry & MOs

Info

ID:	135938
PubChem CID:	51957063
Reduced:	SCl2O4N5H16C18 (1)
Stoich.:	AB2C4D5E16F18 (1)
Weight, g/mol:	469.037831
ΔH_f, kcal/mol:	-14.25
Dipole, Da:	5.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.904973
Charge, e:	0

Chem-info

IUPAC name:

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN2C=C(C=N2)[N-]S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C(=C(C=N4)Cl)Cl

DOS

IR

Vibrations