Geometry & MOs

Info

ID:	431260
PubChem CID:	135171331
Reduced:	SO4C10H16 (1)
Stoich.:	AB4C10D16 (1)
Weight, g/mol:	440.221226
ΔH_f, kcal/mol:	-197.71
Dipole, Da:	4.97
IP(EA), eV:	-9.88(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-benzofuran-2-ylmethylamino)cyclohexyl]-5-cyano-N-ethyl-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC(=O)C)SC(=O)C

DOS

IR

Vibrations