Geometry & MOs

Info

ID:

296744

PubChem CID:

117591287

Reduced:

NNaCl2O5C36H42 (1)

Stoich.:

ABC2D5E36F42 (1)

Weight, g/mol:

740.392433

ΔHf, kcal/mol:

-319.41

Dipole, Da:

9.81

IP(EA), eV:

 -7.47(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one;(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) propanoate

Drug info:

PubChemData

Smile

CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C.CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.[Na+]

DOS

IR

Vibrations