Geometry & MOs

Info

ID:	345331
PubChem CID:	127269607
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-161.81
Dipole, Da:	1.72
IP(EA), eV:	-8.34(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(2-oxopiperidin-3-yl)urea

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N3CCC(CC3)OC4CCCC4)OCCO2

DOS

IR

Vibrations