Geometry & MOs

Info

ID:

215513

PubChem CID:

85084847

Reduced:

N10O17C42H68 (1)

Stoich.:

A10B17C42D68 (1)

Weight, g/mol:

986.410209

ΔHf, kcal/mol:

-842.39

Dipole, Da:

3.08

IP(EA), eV:

 -9.82(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)N1CCCC1C(=O)NC(C(C)OC2C(C(C(C(O2)CO)O)O)NC(=O)C)C(=O)NCC(=O)N3CCCC3C(=O)NCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C

DOS

IR

Vibrations