Geometry & MOs

Info

ID:

167390

PubChem CID:

74819078

Reduced:

NPO10C43H82 (1)

Stoich.:

ABC10D43E82 (1)

Weight, g/mol:

580.158076

ΔHf, kcal/mol:

-659.58

Dipole, Da:

8.36

IP(EA), eV:

 -9.73(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[3,5-dihydroxy-2-[3-(4-hydroxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC(C)C(C(=O)O)N)OC(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations