Geometry & MOs

Info

ID:	179361
PubChem CID:	76470921
Reduced:	OCl2N2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	636.21312
ΔH_f, kcal/mol:	65.55
Dipole, Da:	2.04
IP(EA), eV:	-9.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[[[5-(2-amino-6-methoxypurin-9-yl)-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphinothioyl]amino]propanoate

Drug info:

PubChemData

Smile

C1C2C(C2(CN1)C3=CC(=C(C=C3)Cl)Cl)C=NOC4=CC=CC=C4

DOS

IR

Vibrations