Geometry & MOs

Info

ID:	122100
PubChem CID:	50794270
Reduced:	SO2N5C27H29 (1)
Stoich.:	AB2C5D27E29 (1)
Weight, g/mol:	445.216555
ΔH_f, kcal/mol:	22.8
Dipole, Da:	7.6
IP(EA), eV:	-8.99(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-fluorophenyl)methyl]-3-[1-(2-naphthalen-2-ylacetyl)piperidin-4-yl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=NC3=C2N=CC=C3)CN4CCN(CC4)S(=O)(=O)C5=CC6=C(CCC6)C=C5

DOS

IR

Vibrations