Geometry & MOs

Info

ID:	130027
PubChem CID:	51074665
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	341.173942
ΔH_f, kcal/mol:	-77.09
Dipole, Da:	3.36
IP(EA), eV:	-8.45(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(1-pyridin-2-ylethyl)urea

Drug info:

PubChemData

Smile

CC(=O)N1CCCN(CC1)C(=O)NC2CCSC3=CC=CC=C23

DOS

IR

Vibrations