Geometry & MOs

Info

ID:

191342

PubChem CID:

78134234

Reduced:

N13O28C90H95 (1)

Stoich.:

A13B28C90D95 (1)

Weight, g/mol:

898.429622

ΔHf, kcal/mol:

-1065.38

Dipole, Da:

15.16

IP(EA), eV:

 -8.7(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,6-bis[[tert-butyl(diphenyl)silyl]oxy]-2,5-bis[(4-methoxyphenyl)methoxy]hexane-3,4-diol

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(C)C(=O)NC(C1=CC=C(C=C1)O)C(=O)NC(C2=CC(=CC(=C2)O)O)C(=O)NC(C3=CC=C(C=C3)O)C(=O)NC(C4=CC(=CC(=C4)O)O)C(=O)NC(C(C)C)C(=O)NC(C5=CC(=CC(=C5)O)O)C(=O)NC(C6=CC=C(C=C6)O)C(=O)NC(CC7=CC=CC=C7)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(C8=CC(=CC(=C8)O)O)NC(=O)C(C9=CC=C(C=C9)O)N

DOS

IR

Vibrations