Geometry & MOs

Info

ID:	243504
PubChem CID:	99224897
Reduced:	N4O4H24C27 (1)
Stoich.:	A4B4C24D27 (1)
Weight, g/mol:	431.085224
ΔH_f, kcal/mol:	-24.07
Dipole, Da:	7.28
IP(EA), eV:	-8.63(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-6-oxo-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2CC(=NN2C(=O)COC(=O)CC3=C4C=CC=CC4=NN3)C5=CC=CC=C5

DOS

IR

Vibrations