Geometry & MOs

Info

ID:

388918

PubChem CID:

134990606

Reduced:

O8N9C33H53 (1)

Stoich.:

A8B9C33D53 (1)

Weight, g/mol:

511.250478

ΔHf, kcal/mol:

-289.32

Dipole, Da:

8.85

IP(EA), eV:

 -9.47(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methoxy-2-[(S)-(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1-[[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]oxymethyl]benzimidazole

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations