Geometry & MOs

Info

ID:

237755

PubChem CID:

92721287

Reduced:

FSO2N3C26H30 (1)

Stoich.:

ABC2D3E26F30 (1)

Weight, g/mol:

486.302848

ΔHf, kcal/mol:

-84.87

Dipole, Da:

5.35

IP(EA), eV:

 -8.5(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-10-[2-[butyl(ethyl)amino]ethyl]-N-cyclohexyl-4-ethyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC2=C(S1)C=C3N2C[C@@](N(C3=O)CC4=CC=C(C=C4)F)(C)C(=O)NC5CCCCC5

DOS

IR

Vibrations