Geometry & MOs

Info

ID:

405418

PubChem CID:

135073862

Reduced:

SP3N9O17C32H46 (1)

Stoich.:

AB3C9D17E32F46 (1)

Weight, g/mol:

478.453852

ΔHf, kcal/mol:

-860.76

Dipole, Da:

7.19

IP(EA), eV:

 -8.55(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10E,18E)-2,6,10,14,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaene

Drug info:

PubChemData

Smile

CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1C(C([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(=O)[C@H](CC4=CNC5=CC=CC=C54)N)O

DOS

IR

Vibrations