Geometry & MOs

Info

ID:	430807
PubChem CID:	135170874
Reduced:	ClSO3N4C19H23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	375.231063
ΔH_f, kcal/mol:	-75.75
Dipole, Da:	6.94
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations