Geometry & MOs

Info

ID:	380325
PubChem CID:	134970735
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	437.99226
ΔH_f, kcal/mol:	-121.77
Dipole, Da:	3.75
IP(EA), eV:	-8.89(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-3-hydroxy-6-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]oxybenzene-1,2-dicarbonitrile

Drug info:

PubChemData

Smile

CCS[C@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3)N=NN

DOS

IR

Vibrations