Geometry & MOs

Info

ID:

233047

PubChem CID:

87691805

Reduced:

Si4O9C29H68 (1)

Stoich.:

A4B9C29D68 (1)

Weight, g/mol:

1521.303885

ΔHf, kcal/mol:

-698.1

Dipole, Da:

0.88

IP(EA), eV:

 -8.72(0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3,4-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;5-[(3,4-dimethoxyphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide;5-[(2-methylsulfanylphenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC([C@@]([C@]([C@@](CO)(O)O[Si](C)(C)C(C)(C)C)(O)O[Si](C)(C)C(C)(C)C)(O)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations