Geometry & MOs

Info

ID:

188337

PubChem CID:

77700628

Reduced:

SN2O9C35H50 (1)

Stoich.:

AB2C9D35E50 (1)

Weight, g/mol:

530.190972

ΔHf, kcal/mol:

-358.24

Dipole, Da:

1.03

IP(EA), eV:

 -8.61(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[11,12-dimethoxy-11,12-dimethyl-8-(2,2,2-trifluoro-1-hydroxyethyl)-7,10,13-trioxa-5-thia-3-azatricyclo[7.4.0.02,6]tridec-3-en-4-yl]-N-ethylcarbamate

Drug info:

PubChemData

Smile

CCCCOCCN(C1=NC2C(C(C(OC2S1)C(C)O)OCC3=CC=C(C=C3)OC)OCC4=CC=C(C=C4)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations