Geometry & MOs

Info

ID:	221699
PubChem CID:	85286009
Reduced:	PN3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	600.212333
ΔH_f, kcal/mol:	1.78
Dipole, Da:	9.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039551
Charge, e:	0

Chem-info

IUPAC name:

[3-benzoyloxy-5-[2,4-bis(trimethylsilyloxy)-2H-pyrimidin-1-yl]-4-fluorooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=C[P+](N(C)C)(N(C)C)N(C)C

DOS

IR

Vibrations