Geometry & MOs

Info

ID:	23307
PubChem CID:	603043
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-19.09
Dipole, Da:	8.26
IP(EA), eV:	-8.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-naphthalen-2-yloxybutylsulfanyl)-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)OCCCCSC3=CC=NC(=O)N3

DOS

IR

Vibrations