Geometry & MOs

Info

ID:

220119

PubChem CID:

85165265

Reduced:

SiF3O6C36H41 (1)

Stoich.:

AB3C6D36E41 (1)

Weight, g/mol:

654.410483

ΔHf, kcal/mol:

-374.31

Dipole, Da:

5.89

IP(EA), eV:

 -9.22(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[[1-[(6-amino-1-cyclohexyl-3-hydroxy-5-methyl-6-oxohexan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-methylamino]-1-oxo-4-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C#CCOC(=O)C)C(CCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)OC(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC

DOS

IR

Vibrations