Geometry & MOs

Info

ID:	154221
PubChem CID:	56313627
Reduced:	SN2F3O5C20H27 (1)
Stoich.:	AB2C3D5E20F27 (1)
Weight, g/mol:	435.15699
ΔH_f, kcal/mol:	-350.79
Dipole, Da:	3.9
IP(EA), eV:	-9.08(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3)OCC(F)(F)F

DOS

IR

Vibrations