Geometry & MOs

Info

ID:	430749
PubChem CID:	135170816
Reduced:	ClSN3O4C18H20 (1)
Stoich.:	ABC3D4E18F20 (1)
Weight, g/mol:	443.218447
ΔH_f, kcal/mol:	-95.21
Dipole, Da:	1.38
IP(EA), eV:	-8.47(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[(2,2,2-trifluoro-1-phenylethyl)amino]cyclohexyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCOC2=C(C1)C=C(C=N2)NSC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations