Geometry & MOs

Info

ID:	218346
PubChem CID:	85089209
Reduced:	PN5O7C18H22 (1)
Stoich.:	AB5C7D18E22 (1)
Weight, g/mol:	453.191128
ΔH_f, kcal/mol:	-275.43
Dipole, Da:	3.33
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[1-(2-fluorophenyl)-4-methoxypiperidin-4-yl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOP(=O)(NC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)OC4=CC=CC=C4

DOS

IR

Vibrations