Geometry & MOs

Info

ID:	80705
PubChem CID:	49835983
Reduced:	FSN2O2H15C17 (1)
Stoich.:	ABC2D2E15F17 (1)
Weight, g/mol:	361.10604
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	9.26
IP(EA), eV:	-8.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[[1-(2,4-difluorophenyl)pyrrol-3-yl]methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2F)C)/C=C\3/C(=O)N(C(=O)S3)C

DOS

IR

Vibrations