Geometry & MOs

Info

ID:

296773

PubChem CID:

117592180

Reduced:

SN3O17C52H67 (1)

Stoich.:

AB3C17D52E67 (1)

Weight, g/mol:

1419.794469

ΔHf, kcal/mol:

-642.62

Dipole, Da:

18.77

IP(EA), eV:

 -8.86(-2.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitrosourea;[3-[2,3-di(dodecanoyloxy)propoxy-oxidophosphoryl]oxy-2-hydroxypropyl] 2,3-di(dodecanoyloxy)propyl phosphate

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O.CC=C(C)C(=O)OC1CCC2(C3C1(OC24CC5(C6CN7CC(CCC7C(C6(C(CC5(C4CC3)O)O)O)(C)O)C)O)O)C.OS(=O)(=O)O

DOS

IR

Vibrations