Geometry & MOs

Info

ID:	354274
PubChem CID:	127286238
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	379.156577
ΔH_f, kcal/mol:	-103.29
Dipole, Da:	2.58
IP(EA), eV:	-8.38(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-acetylpiperidin-4-yl)methyl]-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N3CCCC3CN4CCCC4)OCCO2

DOS

IR

Vibrations