Geometry & MOs

Info

ID:	346945
PubChem CID:	127271449
Reduced:	SO4N5C17H21 (1)
Stoich.:	AB4C5D17E21 (1)
Weight, g/mol:	360.184921
ΔH_f, kcal/mol:	-78.65
Dipole, Da:	4.23
IP(EA), eV:	-9.94(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-adamantyl)-3-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=NO2)C3=CC=CC=N3)C(=O)NC4CCS(=O)(=O)C4

DOS

IR

Vibrations