Geometry & MOs

Info

ID:	444694
PubChem CID:	135263274
Reduced:	SO2N5C24H31 (1)
Stoich.:	AB2C5D24E31 (1)
Weight, g/mol:	286.131742
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	8.4
IP(EA), eV:	-8.58(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-amino-2-(3,6-dihydro-2H-pyran-4-yl)ethyl]indole-1-carboxylic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(S2)C(=O)NC(CC3=CNC4=CC=CC=C43)C5CCOCC5

DOS

IR

Vibrations