Geometry & MOs

Info

ID:	360493
PubChem CID:	127301138
Reduced:	SN2O5C17H24 (1)
Stoich.:	AB2C5D17E24 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-209.51
Dipole, Da:	5.58
IP(EA), eV:	-9.89(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-N-[(2-methylquinolin-4-yl)methyl]-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

C=CCN(C1CCS(=O)(=O)C1)C(=O)CN2C(=O)C3CCCCC3C2=O

DOS

IR

Vibrations