Geometry & MOs

Info

ID:	137895
PubChem CID:	52280196
Reduced:	OSN6C18H22 (1)
Stoich.:	ABC6D18E22 (1)
Weight, g/mol:	417.198774
ΔH_f, kcal/mol:	73.18
Dipole, Da:	4.68
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N-[6-(2,2,2-trifluoroethoxy)pyridin-3-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(O1)[C@@H](C)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCC4

DOS

IR

Vibrations