Geometry & MOs

Info

ID:	23566
PubChem CID:	604693
Reduced:	OSN3H15C18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	321.093583
ΔH_f, kcal/mol:	60.45
Dipole, Da:	3.4
IP(EA), eV:	-8.3(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-benzyl-2-sulfanylimidazo[4,5-b]indol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1C2=CC=CC=C2C3=C1N(C(=N3)S)CC4=CC=CC=C4

DOS

IR

Vibrations