Geometry & MOs

Info

ID:	124074
PubChem CID:	50871926
Reduced:	ClON2S2H23C25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	505.032161
ΔH_f, kcal/mol:	36.68
Dipole, Da:	6.17
IP(EA), eV:	-8.43(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)/C(=C\C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)Cl)/SC2=S

DOS

IR

Vibrations