Geometry & MOs

Info

ID:

327014

PubChem CID:

126688865

Reduced:

ClFON4H16C17 (1)

Stoich.:

ABCD4E16F17 (1)

Weight, g/mol:

942.338306

ΔHf, kcal/mol:

-23.43

Dipole, Da:

6.95

IP(EA), eV:

 -8.31(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;2-[[3,5,5-trimethyl-2-oxo-4-[3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(2-sulfonatoethylcarbamoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxycarbonylamino]ethanesulfonate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)N=C(N=C2N)C3=CC(=C(C=C3)F)Cl)NC

DOS

IR

Vibrations