Geometry & MOs

Info

ID:

446018

PubChem CID:

135271613

Reduced:

N7O8C32H37 (1)

Stoich.:

A7B8C32D37 (1)

Weight, g/mol:

527.212846

ΔHf, kcal/mol:

-233.87

Dipole, Da:

2.91

IP(EA), eV:

 -8.8(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[4-[6-[(4-hydroxyphenyl)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

CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)NCC5=CC=C(C=C5)OCC6=CC=C(C=C6)OC)CNC(=O)NCC(=O)OC)C

DOS

IR

Vibrations