Geometry & MOs

Info

ID:

446017

PubChem CID:

135271562

Reduced:

FO5N7C27H30 (1)

Stoich.:

AB5C7D27E30 (1)

Weight, g/mol:

647.270361

ΔHf, kcal/mol:

-105.09

Dipole, Da:

7.61

IP(EA), eV:

 -8.94(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[4-[6-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylamino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methylcarbamoylamino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2)OC3=NC=NC4=CN=C(C=C43)OCCN5CCOCC5)F

DOS

IR

Vibrations