Geometry & MOs

Info

ID:	309156
PubChem CID:	126539065
Reduced:	OC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	452.180818
ΔH_f, kcal/mol:	-159.18
Dipole, Da:	4.02
IP(EA), eV:	-9.03(1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,9S,10aS)-2,6-diamino-10,10-dihydroxy-4-(hydroxymethyl)-3a,4,8,9-tetrahydro-1H-pyrrolo[1,2-c]purin-9-yl] 2-phenylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C1C(C(CC[C@]12CO2)OC)OC)OCC=C(C)C

DOS

IR

Vibrations