Geometry & MOs

Info

ID:	156383
PubChem CID:	56370364
Reduced:	ClOSN2C19H29 (1)
Stoich.:	ABCD2E19F29 (1)
Weight, g/mol:	420.16314
ΔH_f, kcal/mol:	-39.13
Dipole, Da:	2.11
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]methyl]-N,N-dimethylfuran-2-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCC1CCN2CCOCC2)CCSC3=CC=C(C=C3)Cl

DOS

IR

Vibrations