Geometry & MOs

Info

ID:	124155
PubChem CID:	50873641
Reduced:	BrN2S2O4H19C24 (1)
Stoich.:	AB2C2D4E19F24 (1)
Weight, g/mol:	485.086784
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	6.16
IP(EA), eV:	-8.95(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C(=C3)Br)OCC4=CC=NC=C4)OC)/SC2=S

DOS

IR

Vibrations