Geometry & MOs

Info

ID:	161572
PubChem CID:	57392025
Reduced:	NSO7C26H27 (1)
Stoich.:	ABC7D26E27 (1)
Weight, g/mol:	361.10604
ΔH_f, kcal/mol:	-226.8
Dipole, Da:	9.63
IP(EA), eV:	-9.4(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=CC(=CC=C3)C(=O)OC

DOS

IR

Vibrations