Geometry & MOs

Info

ID:

219180

PubChem CID:

85091273

Reduced:

BrN2C17H23 (2)

Stoich.:

AB2C17D23 (2)

Weight, g/mol:

670.194099

ΔHf, kcal/mol:

-30.47

Dipole, Da:

2.94

IP(EA), eV:

 -7.61(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[6-[[benzamido(phenoxy)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

CCC1=C(NC(=C1C)C)C=C2C3=C(CCCC3)C(=[NH+]2)CC4=[NH+]C(=CC5=C(C(=C(N5)C)CC)C)C(=C4C)CC.[Br-].[Br-]

DOS

IR

Vibrations