Geometry & MOs

Info

ID:	395913
PubChem CID:	135026871
Reduced:	OF2H11C16 (1)
Stoich.:	AB2C11D16 (1)
Weight, g/mol:	557.23308
ΔH_f, kcal/mol:	-44.46
Dipole, Da:	2.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.927445
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-piperidin-1-ylbutan-2-yl]thiourea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\F)/C(=C(/C2=CC=CC=C2)\[O-])/F

DOS

IR

Vibrations