Geometry & MOs

Info

ID:

168464

PubChem CID:

74971914

Reduced:

O9N13C53H71 (1)

Stoich.:

A9B13C53D71 (1)

Weight, g/mol:

407.138852

ΔHf, kcal/mol:

-349.97

Dipole, Da:

9.46

IP(EA), eV:

 -8.98(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 -3

Chem-info

IUPAC name:

[(7,11-dimethyl-3-propyldodeca-2,6,10-trienoxy)-oxidophosphoryl] phosphate

Drug info:

PubChemData

Smile

CC(C)CC(C(CC(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)N)O)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C5CCCN5C(=O)C(CC6=CN=CN6)NC(=O)C

DOS

IR

Vibrations