Geometry & MOs

Info

ID:	187968
PubChem CID:	77649455
Reduced:	NO9C23H31 (1)
Stoich.:	AB9C23D31 (1)
Weight, g/mol:	537.227298
ΔH_f, kcal/mol:	-347.84
Dipole, Da:	5.73
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-hydroxy-2-propan-2-yl-3-(1,3-thiazol-5-yl)cyclohexyl]pyrrolidin-3-yl]-4-oxo-4-[3-(trifluoromethyl)phenyl]butanamide

Drug info:

PubChemData

Smile

CN1CCC23C=CCC(C2OC4C3=C(C1)C=CC4OC)OC5C(C(C(C(O5)C(=O)O)O)O)O

DOS

IR

Vibrations