Geometry & MOs

Info

ID:

317343

PubChem CID:

126636666

Reduced:

ClN2O3F4H15C20 (1)

Stoich.:

AB2C3D4E15F20 (1)

Weight, g/mol:

425.18498

ΔHf, kcal/mol:

-244.92

Dipole, Da:

6.14

IP(EA), eV:

-9.13(-1.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S,5R,6E,9S,10S,12E)-7-fluoro-8,9,10,18-tetrahydroxy-16-(2-hydroxyethylamino)-4,5-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one

Drug info:

PubChemData

Smile

CN/C=C\C(=C/C=O)\NC(=O)C1=C(C=CC(=C1)C(F)(F)F)OC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations