Geometry & MOs

Info

ID:

214723

PubChem CID:

85083484

Reduced:

ISSiO8C20H31 (1)

Stoich.:

ABCD8E20F31 (1)

Weight, g/mol:

586.203462

ΔHf, kcal/mol:

-362.1

Dipole, Da:

6.59

IP(EA), eV:

 -9.71(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OCC[Si](C)(C)C)I)O)OC(=O)C

DOS

IR

Vibrations