Geometry & MOs

Info

ID:

392942

PubChem CID:

135018612

Reduced:

SN2O2H12C15 (1)

Stoich.:

AB2C2D12E15 (1)

Weight, g/mol:

702.470684

ΔHf, kcal/mol:

86.5

Dipole, Da:

5.76

IP(EA), eV:

 -8.9(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4Z,6E,8Z,10E,12Z,14S,15S,16S)-15-hydroxy-16-[11-hydroxy-2-[(E,2R,3S,4S)-3-hydroxy-4,6-dimethyloct-6-en-2-yl]-4-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@H](C(=S)N2C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations