Geometry & MOs

Info

ID:

215040

PubChem CID:

85084045

Reduced:

SN2O3C17H26 (2)

Stoich.:

AB2C3D17E26 (2)

Weight, g/mol:

676.455443

ΔHf, kcal/mol:

-294.17

Dipole, Da:

4.86

IP(EA), eV:

 -8.6(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-[2-[4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CCSC)C(=O)O)NC(=O)C(C(C)C)NCC(CSC1=CC2=CC=CC=C2C=C1)NC(=O)OC(C)(C)C

DOS

IR

Vibrations