Geometry & MOs

Info

ID:	449424
PubChem CID:	135298463
Reduced:	N3C28H37 (1)
Stoich.:	A3B28C37 (1)
Weight, g/mol:	602.200247
ΔH_f, kcal/mol:	50.32
Dipole, Da:	3.83
IP(EA), eV:	-7.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,5S)-5-[[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]-1-diazonio-6-oxo-6-propan-2-yloxyhex-1-en-2-olate

Drug info:

PubChemData

Smile

CC1CCC2CC=CC(=C2N1)C3=CC=CC(=N3)C=NC4C(C=CC=C4C(C)C)C(C)C

DOS

IR

Vibrations