Geometry & MOs

Info

ID:

221546

PubChem CID:

85279483

Reduced:

N10O15C57H90 (1)

Stoich.:

A10B15C57D90 (1)

Weight, g/mol:

1158.473047

ΔHf, kcal/mol:

-729.7

Dipole, Da:

7.53

IP(EA), eV:

 -9.37(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[4,5-dihydroxy-2-[3-[3-hydroxy-6-(hydroxymethyl)-4,5-bis(2-methylbut-2-enoyloxy)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylbut-2-enoyloxy)oxan-2-yl]oxy-6-(2-methylbut-2-enoyloxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCCC1C(=O)NC(C(C)C)C(=O)N(C)C(CCC(=O)O)C(=O)O)NC(=O)C(CCC(=O)N)N(C)C(=O)C(C(C)C)N(C)C(=O)CNC(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)CC)O

DOS

IR

Vibrations