Geometry & MOs

Info

ID:

215515

PubChem CID:

85084851

Reduced:

N2O7C65H66 (1)

Stoich.:

A2B7C65D66 (1)

Weight, g/mol:

987.306503

ΔHf, kcal/mol:

-103.6

Dipole, Da:

5.28

IP(EA), eV:

 -9.02(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[6-[[benzamido-[[4-(6-benzamidopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methoxy]phosphoryl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC=CC=C1C(=O)NC(COCC2=CC=CC=C2)C(C(C(COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8

DOS

IR

Vibrations