Geometry & MOs

Info

ID:	320178
PubChem CID:	126658559
Reduced:	O4C17H20 (1)
Stoich.:	A4B17C20 (1)
Weight, g/mol:	494.239318
ΔH_f, kcal/mol:	-118.06
Dipole, Da:	3.07
IP(EA), eV:	-8.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dihydroxy-5-(4-hydroxy-2-oxo-1,3-diazaspiro[6.11]octadecan-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(=C(C(=O)OC)O/C(=C(/C=C)\C1=CC=C(C=C1)O)/C)C

DOS

IR

Vibrations