Geometry & MOs

Info

ID:

188941

PubChem CID:

77789184

Reduced:

N7O9C42H55 (1)

Stoich.:

A7B9C42D55 (1)

Weight, g/mol:

426.173726

ΔHf, kcal/mol:

-384.57

Dipole, Da:

4.64

IP(EA), eV:

 -8.88(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3,4,5-trihydroxy-6-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)N(C)C1CC(N(C1)C(=O)OC(C)(C)C)C(=O)N2CC(CC2C(=O)NC3=CC4=CC=CC=C4N=C3)NC(=O)C(CCC5=CC=CC=C5)O

DOS

IR

Vibrations