Geometry & MOs

Info

ID:	178837
PubChem CID:	76388506
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	609.247612
ΔH_f, kcal/mol:	-172.22
Dipole, Da:	5.18
IP(EA), eV:	-9.73(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[5-[2-amino-6-(cyclopentylamino)-4,5-dihydropurin-9-yl]-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C1CC(CC(C1)O)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations