Geometry & MOs

Info

ID:

326990

PubChem CID:

126688808

Reduced:

O3F4N5C28H29 (1)

Stoich.:

A3B4C5D28E29 (1)

Weight, g/mol:

898.374418

ΔHf, kcal/mol:

-237.44

Dipole, Da:

7.06

IP(EA), eV:

 -9.22(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,5,5-trimethyl-2-oxo-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[2,6,6-trimethyl-3-oxo-4-(2-sulfoethylcarbamoyloxy)cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl]oxycarbonylamino]ethanesulfonic acid

Drug info:

PubChemData

Smile

C1CC1CCC(C2CC=C(C(=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)F)N5C(=O)CCC5=O

DOS

IR

Vibrations