Geometry & MOs

Info

ID:

17376

PubChem CID:

494654

Reduced:

NO13C41H55 (1)

Stoich.:

AB13C41D55 (1)

Weight, g/mol:

769.367341

ΔHf, kcal/mol:

-547.85

Dipole, Da:

2.11

IP(EA), eV:

 -9.04(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,7,9,10,13-pentaacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl) 3-(dimethylamino)-2-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=C2C(C(C3(C(CC(C(=C)C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations