Geometry & MOs

Info

ID:

219205

PubChem CID:

85091585

Reduced:

NOC16H28 (2)

Stoich.:

ABC16D28 (2)

Weight, g/mol:

754.268415

ΔHf, kcal/mol:

-4.29

Dipole, Da:

1.92

IP(EA), eV:

 -1.9(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[2-(3,4-dihydroxyphenyl)ethoxy]-3-hydroxy-5-[3-hydroxy-4-(hydroxymethyl)-4-methyloxolan-2-yl]oxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl 3-(3,4-dihydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)[N+]5(CCCC5)C)C)C)C[N+](C)(C)C)OC(=O)C

DOS

IR

Vibrations