Geometry & MOs

Info

ID:	368487
PubChem CID:	127329105
Reduced:	SN4O4C18H28 (1)
Stoich.:	AB4C4D18E28 (1)
Weight, g/mol:	366.134635
ΔH_f, kcal/mol:	-149.41
Dipole, Da:	5.31
IP(EA), eV:	-8.4(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-2-(oxan-4-yloxy)acetamide

Drug info:

PubChemData

Smile

C1COCCC1CC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

DOS

IR

Vibrations