Geometry & MOs

Info

ID:	184479
PubChem CID:	77166383
Reduced:	SF2O3N6C19H22 (1)
Stoich.:	AB2C3D6E19F22 (1)
Weight, g/mol:	502.219175
ΔH_f, kcal/mol:	-140.89
Dipole, Da:	4.68
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-hydroxy-4-pyridin-2-ylcyclohexyl)amino]pyrrolidin-3-yl]-[3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1(C2C(CN1S(=O)(=O)C3=CC(=CC(=C3)F)F)C(NN2)NC(=O)C4=C(N=CC=C4)N)C

DOS

IR

Vibrations