Geometry & MOs

Info

ID:	189989
PubChem CID:	77936862
Reduced:	O2C21H28 (1)
Stoich.:	A2B21C28 (1)
Weight, g/mol:	609.127909
ΔH_f, kcal/mol:	-43.21
Dipole, Da:	5.59
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[(4-chlorophenoxy)-[[8-(2,4-dioxo-1,3-diazinan-1-yl)-5-hydroxy-1,7-dioxaspiro[3.4]octan-6-yl]methoxy]phosphoryl]amino]acetate

Drug info:

PubChemData

Smile

CC12CCC3C4CCC(=O)C=C4C=CC3C1CCC25CCCO5

DOS

IR

Vibrations