Geometry & MOs

Info

ID:

169762

PubChem CID:

75144656

Reduced:

N2P3O60C124H225 (1)

Stoich.:

A2B3C60D124E225 (1)

Weight, g/mol:

925.115604

ΔHf, kcal/mol:

-3205.59

Dipole, Da:

7.95

IP(EA), eV:

 -10.26(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 -4

Chem-info

IUPAC name:

[5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-4-[[3-[2-[3-(2-hydroxyphenyl)-3-oxopropanoyl]sulfanylethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] phosphate

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O)(O)O)COC2C(C(C(C(O2)COC3(CC(C(C(O3)C(CO)O)OC4C(C(C(C(O4)C(CO)O)O)OC5C(C(C(C(O5)C(COC6C(C(C(C(O6)C(CO)O)O)O)O)O)OP(=O)(O)O)O)O)O)OC7(CC(C(C(O7)C(CO)O)O)O)C(=O)O)C(=O)O)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCC)NC(=O)CC(CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)O)OC(=O)CC(CCCCCCCCCCC)O)O

DOS

IR

Vibrations