Geometry & MOs

Info

ID:	60955
PubChem CID:	26703568
Reduced:	FS2N3O3H20C21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	397.142641
ΔH_f, kcal/mol:	-86.71
Dipole, Da:	4.8
IP(EA), eV:	-9.1(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-N-(2-methoxydibenzofuran-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C4=CC=CC=C4

DOS

IR

Vibrations