Geometry & MOs

Info

ID:	180468
PubChem CID:	76637733
Reduced:	ClON4H13C15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	312.029267
ΔH_f, kcal/mol:	55.83
Dipole, Da:	3.9
IP(EA), eV:	-8.7(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylidene-5-[[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene]imidazolidin-4-one

Drug info:

PubChemData

Smile

CN1C(=NC(=CC2=CNC3=C2C=C(C=N3)Cl)C1=O)C4CC4

DOS

IR

Vibrations