Geometry & MOs

Info

ID:	182916
PubChem CID:	76954580
Reduced:	SN3O3C14H17 (1)
Stoich.:	AB3C3D14E17 (1)
Weight, g/mol:	346.04292
ΔH_f, kcal/mol:	-111.62
Dipole, Da:	1.75
IP(EA), eV:	-9.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromo-1H-indol-3-yl)methylidene]-1,3-dimethyl-2-methyliminoimidazolidin-4-one

Drug info:

PubChemData

Smile

C1CCC2=NC(=C(C=C2C1)C(=O)O)SC3NCCC(=O)N3

DOS

IR

Vibrations