Geometry & MOs

Info

ID:	56303
PubChem CID:	17425033
Reduced:	N2S2O3C24H24 (1)
Stoich.:	A2B2C3D24E24 (1)
Weight, g/mol:	346.132885
ΔH_f, kcal/mol:	-48.8
Dipole, Da:	2.85
IP(EA), eV:	-9.21(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethyl)-1-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4)SC=C2

DOS

IR

Vibrations