Geometry & MOs

Info

ID:	184337
PubChem CID:	77146187
Reduced:	ClFNO3H13C19 (1)
Stoich.:	ABCD3E13F19 (1)
Weight, g/mol:	603.220648
ΔH_f, kcal/mol:	-94.34
Dipole, Da:	4.28
IP(EA), eV:	-9.17(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)Cl)C3(C1=O)CC(=O)C(=CC4=CC=C(C=C4)F)O3

DOS

IR

Vibrations