Geometry & MOs

Info

ID:	312090
PubChem CID:	126602790
Reduced:	PN2O9C15H27 (1)
Stoich.:	AB2C9D15E27 (1)
Weight, g/mol:	475.208352
ΔH_f, kcal/mol:	-470.01
Dipole, Da:	7.94
IP(EA), eV:	-10.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[8-(4-amino-7-oxo-1,5-diazabicyclo[4.1.1]octa-2,4-dien-6-yl)octyl]-3,4-dihydroxyoxolan-2-yl]ethyl dihydrogen phosphate

Drug info:

PubChemData

Smile

CCC(CCOC([C@@H](CO)O)N1C=CC(=O)NC1=O)OP(=O)(C(CC)O)O

DOS

IR

Vibrations