Geometry & MOs

Info

ID:	446662
PubChem CID:	135276746
Reduced:	SO2N4C28H34 (1)
Stoich.:	AB2C4D28E34 (1)
Weight, g/mol:	354.03421
ΔH_f, kcal/mol:	-17.63
Dipole, Da:	7.17
IP(EA), eV:	-8.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-anilino-2-(1,3-benzothiazol-2-yl)-4-chloropyridazin-3-one

Drug info:

PubChemData

Smile

CC1CC2CC(C1)CC(C2)(C)C3=CC=C(C=C3)NC(=O)CSC4=NNC(=N4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations