Geometry & MOs

Info

ID:

311163

PubChem CID:

126589664

Reduced:

FSN3O3C24H24 (1)

Stoich.:

ABC3D3E24F24 (1)

Weight, g/mol:

408.184921

ΔHf, kcal/mol:

-83.74

Dipole, Da:

9.16

IP(EA), eV:

 -8.67(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(10S)-10-ethyl-18-fluoro-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,10-diol

Drug info:

PubChemData

Smile

C/C=C\N=C(C1=CC2=NC=CC(=C2S1)OC3=C(C=C(C=C3)NC(=O)CC(=O)C)F)C(C)C

DOS

IR

Vibrations