Geometry & MOs

Info

ID:	431130
PubChem CID:	135171200
Reduced:	NSO5C17H23 (1)
Stoich.:	ABC5D17E23 (1)
Weight, g/mol:	470.231791
ΔH_f, kcal/mol:	-215.68
Dipole, Da:	5.64
IP(EA), eV:	-9.67(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(3-cyano-1-benzofuran-2-yl)methylamino]cyclohexyl]-N-ethyl-4-methoxy-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C2CC(=O)CS(=O)(=O)C2

DOS

IR

Vibrations