Geometry & MOs

Info

ID:	392134
PubChem CID:	135013210
Reduced:	BrClLiNSC3 (1)
Stoich.:	ABCDEF3 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	51.09
Dipole, Da:	7.15
IP(EA), eV:	-8.68(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[(3aS,8bS)-3-(2-hydroxyacetyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8b-yl]-1H-indol-3-yl]ethyl]-2-hydroxyacetamide

Drug info:

PubChemData

Smile

[Li+].[C-]1=C(SC(=N1)Cl)Br

DOS

IR

Vibrations