Geometry & MOs

Info

ID:

384538

PubChem CID:

134977190

Reduced:

PSO4H25C27 (1)

Stoich.:

ABC4D25E27 (1)

Weight, g/mol:

788.31351

ΔHf, kcal/mol:

-86.51

Dipole, Da:

7.53

IP(EA), eV:

 -9.57(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,9S,10S,14R,15S,19S)-4-bromo-19-ethyl-15-[(4-methoxyphenyl)methoxy]-14-methyl-7-[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OP(CC=O)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations