Geometry & MOs

Info

ID:	38299
PubChem CID:	8029554
Reduced:	O2F3N3H14C20 (1)
Stoich.:	A2B3C3D14E20 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-166.12
Dipole, Da:	8.43
IP(EA), eV:	-9.78(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-1-phenyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(NC1=O)NC(=NC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations