Geometry & MOs

Info

ID:	398713
PubChem CID:	135034981
Reduced:	NC8H9 (3)
Stoich.:	AB8C9 (3)
Weight, g/mol:	518.235162
ΔH_f, kcal/mol:	91.45
Dipole, Da:	11.09
IP(EA), eV:	-8.43(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(1H-indol-3-ylmethyl)-6-(2-phenylacetyl)-9-thia-6,12,15-triazaspiro[4.11]hexadecane-13,16-dione

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1/C=C/[C@H](CC2=CC(=C(C#N)C#N)CCC2)C3=CC=CC=C3

DOS

IR

Vibrations