Geometry & MOs

Info

ID:	78727
PubChem CID:	49703954
Reduced:	SO2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	391.153206
ΔH_f, kcal/mol:	4.81
Dipole, Da:	5.85
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)NCC1=CC=CS1)N2C(=O)C=CC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations