Geometry & MOs

Info

ID:

219153

PubChem CID:

85091070

Reduced:

ClPSiO2C37H62 (1)

Stoich.:

ABCD2E37F62 (1)

Weight, g/mol:

636.398581

ΔHf, kcal/mol:

-214.28

Dipole, Da:

12.65

IP(EA), eV:

 -7.75(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[7,10-dihydroxy-2-[6-hydroxy-7-[3-(3-hydroxypentan-2-yl)oxiran-2-yl]-6-methylhepta-2,4-dien-2-yl]-3,7-dimethyl-12-oxo-1-oxacyclododec-4-en-6-yl] 4-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(=CC[P+](C1CCCCC1)(C2CCCCC2)C3CCCCC3)OC(C)C=CC4=CC=CC=C4.[Cl-]

DOS

IR

Vibrations