Geometry & MOs

Info

ID:	59614
PubChem CID:	24890453
Reduced:	ClSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	547.195741
ΔH_f, kcal/mol:	-1.79
Dipole, Da:	6.9
IP(EA), eV:	-8.47(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-(2-hydroxypropan-2-yl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)NC2=CC(=C(C=C2)OCCN)C3=C(C=NN3C)Cl

DOS

IR

Vibrations