Geometry & MOs

Info

ID:

237748

PubChem CID:

92721261

Reduced:

SO2N4C24H36 (1)

Stoich.:

AB2C4D24E36 (1)

Weight, g/mol:

493.239913

ΔHf, kcal/mol:

-72.72

Dipole, Da:

5.26

IP(EA), eV:

 -8.33(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-11-methyl-N-[(1S,2S)-2-methylcyclohexyl]-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCN1C(=O)C2=CC3=C(N2C[C@@]1(C)C(=O)NC4CCC(CC4)C)C=CS3

DOS

IR

Vibrations