Geometry & MOs

Info

ID:

214902

PubChem CID:

85083821

Reduced:

Si2O5C36H68 (1)

Stoich.:

A2B5C36D68 (1)

Weight, g/mol:

636.220942

ΔHf, kcal/mol:

-418.66

Dipole, Da:

2.36

IP(EA), eV:

 -8.59(0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[4-(4-chloropiperazin-1-yl)phenyl]carbamothioyl-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]amino]carbamate

Drug info:

PubChemData

Smile

CCC(CCCC(C(C)C(=O)C1CC2C3CC(CC3C=CC2C1CCO)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O

DOS

IR

Vibrations