Geometry & MOs

Info

ID:

179273

PubChem CID:

76459510

Reduced:

N4O6C27H38 (1)

Stoich.:

A4B6C27D38 (1)

Weight, g/mol:

849.382628

ΔHf, kcal/mol:

-195.03

Dipole, Da:

3.2

IP(EA), eV:

 -8.63(-1.62)

Spin(Sz, 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-[(1-cyclohexyloxy-1-oxo-3-phenylpropan-2-yl)amino]phosphoryl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(C(=C2C=C(C(=CC2=O)O)C(C)C)ON1)NC(=O)C3CCC(CC3)CN4CCOCC4

DOS

IR

Vibrations