Geometry & MOs

Info

ID:	88167
PubChem CID:	49902072
Reduced:	BrClSN2O5H22C27 (1)
Stoich.:	ABCD2E5F22G27 (1)
Weight, g/mol:	483.125277
ΔH_f, kcal/mol:	-121.81
Dipole, Da:	4.92
IP(EA), eV:	-8.84(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-3-[(2-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3Br)Cl)OCC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations