Geometry & MOs

Info

ID:

393101

PubChem CID:

135019375

Reduced:

F3N3O4C16H16 (1)

Stoich.:

A3B3C4D16E16 (1)

Weight, g/mol:

605.139173

ΔHf, kcal/mol:

-269.3

Dipole, Da:

5.74

IP(EA), eV:

-8.93(-0.58)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

sodium;4-(23-hexadecacyclo[21.15.1.02,10.03,22.04,9.05,20.06,18.07,15.08,13.011,37.012,35.014,33.016,31.017,29.019,27.021,25]nonatriaconta-1(38),2,4(9),5(20),6,8(13),10,12(35),14,16(31),17,19(27),21,24,28,32,36-heptadecaenylamino)butanoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=NC=C(N2)C[C@@H](C(=O)OC)NC(=O)C(F)(F)F

DOS

IR

Vibrations