Geometry & MOs

Info

ID:	312091
PubChem CID:	126602792
Reduced:	PN3O8C20H34 (1)
Stoich.:	AB3C8D20E34 (1)
Weight, g/mol:	476.192368
ΔH_f, kcal/mol:	-385.46
Dipole, Da:	5.18
IP(EA), eV:	-9.41(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[8-(4,7-dioxo-1,5-diazabicyclo[4.1.1]oct-2-en-6-yl)octyl]-3,4-dihydroxyoxolan-2-yl]ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations