Geometry & MOs

Info

ID:

45098

PubChem CID:

10508008

Reduced:

BrPO6C29H58 (1)

Stoich.:

ABC6D29E58 (1)

Weight, g/mol:

614.215197

ΔHf, kcal/mol:

-436.27

Dipole, Da:

5.63

IP(EA), eV:

-9.72(-0.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(5R,6S,13S,21R)-9,17,19-trimethoxy-5,13-bis(4-methoxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2,8,10,15(20),16,18-hexaene-6,21-diol

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCCCCCCCCCCCCCCCCCCCCCOP(=O)(O)OCCBr

DOS

IR

Vibrations