Geometry & MOs

Info

ID:	128445
PubChem CID:	51044514
Reduced:	FN2S2O3H17C18 (1)
Stoich.:	AB2C2D3E17F18 (1)
Weight, g/mol:	363.113153
ΔH_f, kcal/mol:	-104.79
Dipole, Da:	4.89
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NC(=O)C2=CC3=C(N2CC4=CC=CC=C4F)C=CS3

DOS

IR

Vibrations