Geometry & MOs

Info

ID:	320583
PubChem CID:	126661935
Reduced:	FN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	505.135706
ΔH_f, kcal/mol:	-71.62
Dipole, Da:	3.15
IP(EA), eV:	-8.23(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1-trifluoro-4-[(1S)-3-[2-[2-oxo-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]phenyl]cycloheptyl]butan-2-one

Drug info:

PubChemData

Smile

COC(=O)CC(=O)NC1=CC=C(C=C1)N(CC#C)CC2=CC=C(C=C2)F

DOS

IR

Vibrations