Geometry & MOs

Info

ID:	190093
PubChem CID:	77952565
Reduced:	ClO2N3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	561.173698
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	6.17
IP(EA), eV:	-8.72(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[[5-(2-amino-6-methoxypurin-9-yl)-4-cyano-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=O)C1CNC(=O)C2=C(C(=CC(=C2)Cl)NC)C)C

DOS

IR

Vibrations