Geometry & MOs

Info

ID:

399890

PubChem CID:

135043530

Reduced:

OC11H16 (1)

Stoich.:

AB11C16 (1)

Weight, g/mol:

727.379243

ΔHf, kcal/mol:

-27.34

Dipole, Da:

2.0

IP(EA), eV:

-9.6(0.98)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1S,2R,5R,8R,9R,14R)-8-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,9-trimethyl-15-[(4-pyridin-3-ylimidazol-1-yl)methyl]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone

Drug info:

PubChemData

Smile

CC1(C=C[C@H]2COC[C@H]2C=C1)C

DOS

IR

Vibrations