Geometry & MOs

Info

ID:	430833
PubChem CID:	135170900
Reduced:	ClSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	447.193375
ΔH_f, kcal/mol:	-81.3
Dipole, Da:	3.23
IP(EA), eV:	-8.58(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(4-fluorophenyl)methylamino]cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OCC4(CC4)N(C3)C(=O)CO

DOS

IR

Vibrations