Geometry & MOs

Info

ID:	313465
PubChem CID:	126614885
Reduced:	SN2O2C26H26 (1)
Stoich.:	AB2C2D26E26 (1)
Weight, g/mol:	424.101227
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	10.21
IP(EA), eV:	-8.5(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-(3-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-hydroxy-3-phenyl-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(=CC(=C2C)/C=C/3\C(=O)N(C(=O)S3)C4=CC=CC=C4)C

DOS

IR

Vibrations