Geometry & MOs

Info

ID:	313463
PubChem CID:	126614881
Reduced:	ClSN2O4H19C24 (1)
Stoich.:	ABC2D4E19F24 (1)
Weight, g/mol:	445.182398
ΔH_f, kcal/mol:	-91.45
Dipole, Da:	6.67
IP(EA), eV:	-8.72(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=C(C=CC(=C2)C(=O)OC)Cl)C)/C=C/3\C(=O)N(C(=O)S3)C4=CC=CC=C4

DOS

IR

Vibrations