Geometry & MOs

Info

ID:	137577
PubChem CID:	52229471
Reduced:	SN3O5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	342.157957
ΔH_f, kcal/mol:	-154.65
Dipole, Da:	11.9
IP(EA), eV:	-9.03(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[2-(methoxymethyl)phenyl]urea

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)NC(=O)C2=CNC3=CC=CC=C3C2=O

DOS

IR

Vibrations