Geometry & MOs

Info

ID:

127629

PubChem CID:

51009191

Reduced:

ClN2O8C30H37 (1)

Stoich.:

AB2C8D30E37 (1)

Weight, g/mol:

379.124215

ΔHf, kcal/mol:

-338.24

Dipole, Da:

4.36

IP(EA), eV:

 -8.93(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R,12R)-10-hydroxy-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),6,10,13-pentaenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C([C@H]1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNC(=O)[C@@]34CC[C@](C3(C)C)(C(=O)O4)C

DOS

IR

Vibrations