Geometry & MOs

Info

ID:	313462
PubChem CID:	126614879
Reduced:	ClSN2O4H17C23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	466.075406
ΔH_f, kcal/mol:	-89.54
Dipole, Da:	5.77
IP(EA), eV:	-8.94(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-3-[3-[(E)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations