Geometry & MOs

Info

ID:	431171
PubChem CID:	135171241
Reduced:	SO2N6C24H28 (1)
Stoich.:	AB2C6D24E28 (1)
Weight, g/mol:	429.202797
ΔH_f, kcal/mol:	-3.68
Dipole, Da:	8.29
IP(EA), eV:	-8.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=C5C(=NC4=O)C=CS5)NC6CCC(C6)O)/N3

DOS

IR

Vibrations