Geometry & MOs

Info

ID:	302717
PubChem CID:	124393379
Reduced:	NO5H21C27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	455.070655
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	4.77
IP(EA), eV:	-8.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[(5E)-5-[(1-methylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@@H](C2([C@@H]3N1C4=CC=CC=C4C=C3)C(=O)C5=CC=CC=C5C2=O)C6=CC=CO6

DOS

IR

Vibrations