Geometry & MOs

Info

ID:

307399

PubChem CID:

125299801

Reduced:

FSO2N6H19C22 (1)

Stoich.:

ABC2D6E19F22 (1)

Weight, g/mol:

507.283217

ΔHf, kcal/mol:

61.69

Dipole, Da:

3.82

IP(EA), eV:

 -9.07(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,2R)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3S,4S,5S,7S)-4,7-dihydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1CC(=NO1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=C5C=CC=CC5=NC4

DOS

IR

Vibrations