Geometry & MOs

Info

ID:	157212
PubChem CID:	56422404
Reduced:	ClN2O4C16H21 (1)
Stoich.:	AB2C4D16E21 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-155.46
Dipole, Da:	5.84
IP(EA), eV:	-9.22(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(4-pyridin-2-ylsulfanylphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=NC(=C(C=C1)Cl)C(=O)N2CCCCC2C3OCCO3

DOS

IR

Vibrations