Geometry & MOs

Info

ID:	38790
PubChem CID:	8137930
Reduced:	SCl2O2N4H14C16 (1)
Stoich.:	AB2C2D4E14F16 (1)
Weight, g/mol:	396.021452
ΔH_f, kcal/mol:	-3.09
Dipole, Da:	2.67
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)CN3C(=O)C(=C(C=N3)Cl)Cl

DOS

IR

Vibrations