Geometry & MOs

Info

ID:	308265
PubChem CID:	125325172
Reduced:	SN3O3C13H15 (1)
Stoich.:	AB3C3D13E15 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	5.04
IP(EA), eV:	-9.44(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidoindol-1-yl)-N-[2-(5-chloro-2H-indol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)C1)OCC(=O)NCCC2=NC=CS2

DOS

IR

Vibrations