Geometry & MOs

Info

ID:

397173

PubChem CID:

135029839

Reduced:

NSF3O3H16C17 (1)

Stoich.:

ABC3D3E16F17 (1)

Weight, g/mol:

370.152872

ΔHf, kcal/mol:

-213.04

Dipole, Da:

8.42

IP(EA), eV:

 -9.13(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,4R,8R,9R)-5-[(1R)-1-hydroxyethyl]-21-methyl-6,17-dioxa-16,21-diazahexacyclo[7.7.3.22,5.01,9.04,8.010,15]henicosa-10,12,14-triene-7,18-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H]([C@H]2C(F)(F)F)OC3=CC=CC=C3

DOS

IR

Vibrations