Geometry & MOs

Info

ID:

237749

PubChem CID:

92721266

Reduced:

SN3O3C28H35 (1)

Stoich.:

AB3C3D28E35 (1)

Weight, g/mol:

461.21707

ΔHf, kcal/mol:

-20.29

Dipole, Da:

6.41

IP(EA), eV:

 -8.32(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-N-cycloheptyl-11-methyl-9-oxo-10-(3-propylsulfanylpropyl)-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)[C@]2(CN3C4=C(C=C3C(=O)N2CC5=CC=C(C=C5)OC(C)C)SC=C4)C

DOS

IR

Vibrations