Geometry & MOs

Info

ID:

222162

PubChem CID:

85294829

Reduced:

N5O9C75H95 (1)

Stoich.:

A5B9C75D95 (1)

Weight, g/mol:

1919.901701

ΔHf, kcal/mol:

-257.11

Dipole, Da:

8.65

IP(EA), eV:

 -8.61(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[[4-[[7-[[1,10-dimethoxy-4-(phenylmethoxymethyl)-7-[3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]oxy]-1,10-dimethoxy-4-(phenylmethoxymethyl)-2,5,9-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]oxy]-6-methoxy-3,5-bis(phenylmethoxy)oxan-2-yl]methoxy]-diphenylsilane

Drug info:

PubChemData

Smile

CC1C(CC(C(O1)C2(CC(=CC3=NC(=O)CC3(C)COC(C)(C)C)NC2=CC4=NC(=CC5=NC(C(C5)(C)C6C(CC(C(O6)C)OCC7=CC=CC=C7)OCC8=CC=CC=C8)(C)C#N)CC4(C)COC(C)(C)C)C)OCC9=CC=CC=C9)OCC1=CC=CC=C1

DOS

IR

Vibrations