Geometry & MOs

Info

ID:	219062
PubChem CID:	85090426
Reduced:	SiO4C34H44 (1)
Stoich.:	AB4C34D44 (1)
Weight, g/mol:	545.152002
ΔH_f, kcal/mol:	-150.7
Dipole, Da:	0.87
IP(EA), eV:	-8.84(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylbutan-2-ol

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C=CC(C(C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations