Geometry & MOs

Info

ID:

26039

PubChem CID:

636789

Reduced:

ON3C36H37 (1)

Stoich.:

AB3C36D37 (1)

Weight, g/mol:

514.413444

ΔHf, kcal/mol:

121.59

Dipole, Da:

1.54

IP(EA), eV:

 -7.5(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(6S,7S,8R,11R,12S,15S,16R)-15-[(1R)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]-2-hydroxy-N,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=CC(=C4C3=CC(=CO)C=C4)C=C5C(=C(C(=N5)C=C6C(=C(C(=CC1=N2)N6)CC)CC)CC)C)C

DOS

IR

Vibrations