Geometry & MOs

Info

ID:	64528
PubChem CID:	29202771
Reduced:	SF3N3O3C19H20 (1)
Stoich.:	AB3C3D3E19F20 (1)
Weight, g/mol:	409.203528
ΔH_f, kcal/mol:	-225.88
Dipole, Da:	8.89
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxypropyl)-5-piperidin-1-ylsulfonyl-2-pyrrolidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC(=C1)C(F)(F)F)C2=NC(=CS2)/C=C/C(=O)NCCCOC

DOS

IR

Vibrations