Geometry & MOs

Info

ID:	313464
PubChem CID:	126614884
Reduced:	SO2N3C26H27 (1)
Stoich.:	AB2C3D26E27 (1)
Weight, g/mol:	430.171499
ΔH_f, kcal/mol:	-18.35
Dipole, Da:	7.68
IP(EA), eV:	-8.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-(4-butylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-phenyl-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations