Geometry & MOs

Info

ID:

192654

PubChem CID:

78296531

Reduced:

SN15O16C35H69 (1)

Stoich.:

AB15C16D35E69 (1)

Weight, g/mol:

690.2828

ΔHf, kcal/mol:

-721.23

Dipole, Da:

6.57

IP(EA), eV:

 -8.84(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[2-dodecanoyloxy-4-oxo-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)butyl]-trimethylazanium

Drug info:

PubChemData

Smile

CCC(CO)NCCNC(CC)CO.C1C(NC(=NC1O)N)C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CO)CO)NC(=O)CC(CCCN)N.OS(=O)(=O)O

DOS

IR

Vibrations