Geometry & MOs

Info

ID:

237753

PubChem CID:

92721278

Reduced:

SO2N4C26H40 (1)

Stoich.:

AB2C4D26E40 (1)

Weight, g/mol:

498.302848

ΔHf, kcal/mol:

-77.89

Dipole, Da:

3.13

IP(EA), eV:

 -8.54(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN(CC)CCN1C(=O)C2=CC3=C(N2C[C@]1(C)C(=O)NC4CCCCCC4)C=CS3

DOS

IR

Vibrations