Geometry & MOs

Info

ID:	345324
PubChem CID:	127269600
Reduced:	SO3N5C17H21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	6.4
IP(EA), eV:	-8.37(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)NCC3=NN=C4N3CCCC4)OCCO2

DOS

IR

Vibrations