Geometry & MOs

Info

ID:

305367

PubChem CID:

124772303

Reduced:

BrN2S2O3C20H25 (1)

Stoich.:

AB2C2D3E20F25 (1)

Weight, g/mol:

452.245727

ΔHf, kcal/mol:

-85.15

Dipole, Da:

4.02

IP(EA), eV:

 -9.6(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[[5-[(E)-2-(dimethylamino)ethenyl]-3-methyl-1,2-oxazol-4-yl]sulfonyl]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(S3)Br

DOS

IR

Vibrations