Geometry & MOs

Info

ID:

298642

PubChem CID:

117653294

Reduced:

FSN3O4H16C20 (1)

Stoich.:

ABC3D4E16F20 (1)

Weight, g/mol:

599.320665

ΔHf, kcal/mol:

-84.75

Dipole, Da:

5.35

IP(EA), eV:

 -9.39(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4E,6E,8S,9S,10Z,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OC)OC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=C(C=C3)F)C#N

DOS

IR

Vibrations