Geometry & MOs

Info

ID:	243058
PubChem CID:	99215331
Reduced:	FSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	429.152241
ΔH_f, kcal/mol:	-53.57
Dipole, Da:	6.48
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-(3-fluorophenyl)-1-methylpyrazol-3-yl]propyl]-N-methyl-2,3-dihydro-1-benzofuran-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N(C)CCCC2=NN(C(=C2)C3=CC(=CC=C3)F)C

DOS

IR

Vibrations