Geometry & MOs

Info

ID:	191536
PubChem CID:	78161450
Reduced:	FSN2O3C22H31 (1)
Stoich.:	ABC2D3E22F31 (1)
Weight, g/mol:	445.272927
ΔH_f, kcal/mol:	-168.4
Dipole, Da:	7.6
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(11-benzyl-6-oxo-5-azatricyclo[8.4.0.01,5]tetradecan-12-yl)-3-(4-methylphenyl)urea

Drug info:

PubChemData

Smile

CCCC1C2CCCC(=O)N3C2(CCC3)CCC1NS(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations