Geometry & MOs

Info

ID:	230356
PubChem CID:	87570709
Reduced:	FSN3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	551.245392
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	3.89
IP(EA), eV:	-9.46(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-[piperidin-2-yl(sulfonyl)methoxy]acetamide;naphthalene

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C(=O)NC2=NC(=C(S2)C#N)C3=CC=CC=C3F)C(=O)O

DOS

IR

Vibrations