Geometry & MOs

Info

ID:	128666
PubChem CID:	51053750
Reduced:	FSN2O3C17H19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	412.059277
ΔH_f, kcal/mol:	-151.29
Dipole, Da:	4.64
IP(EA), eV:	-9.58(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dichlorophenyl)-2-[6-(morpholin-4-ylmethyl)-4-oxopyran-3-yl]oxyacetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC(=CC=C2)F)C(=O)N[C@@H](CC(C)C)C(=O)O

DOS

IR

Vibrations