Geometry & MOs

Info

ID:	155977
PubChem CID:	56368563
Reduced:	S2F3O3N4C20H25 (1)
Stoich.:	A2B3C3D4E20F25 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-239.02
Dipole, Da:	5.57
IP(EA), eV:	-9.31(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[ethylsulfonyl(methyl)amino]propyl]-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=CS1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations