Geometry & MOs

Info

ID:

237754

PubChem CID:

92721285

Reduced:

SO2N4C28H42 (1)

Stoich.:

AB2C4D28E42 (1)

Weight, g/mol:

467.204277

ΔHf, kcal/mol:

-79.56

Dipole, Da:

2.86

IP(EA), eV:

 -8.49(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-N-cyclohexyl-4-ethyl-10-[(4-fluorophenyl)methyl]-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)CCCN4CCCCC4)(C)C(=O)NC5CCCCCC5

DOS

IR

Vibrations