Geometry & MOs

Info

ID:	312092
PubChem CID:	126602797
Reduced:	PN2O9C20H33 (1)
Stoich.:	AB2C9D20E33 (1)
Weight, g/mol:	529.244069
ΔH_f, kcal/mol:	-444.41
Dipole, Da:	5.0
IP(EA), eV:	-9.97(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(13Z)-15,20-dioxo-16-azatricyclo[9.5.2.21,12]icos-13-en-11-yl]-3,4-dihydroxyoxolan-2-yl]ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1C2(C(=O)N1C=CC(=O)N2)CCCCCCCCC3C(C(C(O3)CCOP(=O)(O)O)O)O

DOS

IR

Vibrations