Geometry & MOs

Info

ID:

214987

PubChem CID:

85083962

Reduced:

PN3O7C11H14 (2)

Stoich.:

AB3C7D11E14 (2)

Weight, g/mol:

661.197108

ΔHf, kcal/mol:

-636.54

Dipole, Da:

2.9

IP(EA), eV:

 -9.15(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropyl-4-[6-[2-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O

DOS

IR

Vibrations