Geometry & MOs

Info

ID:	80701
PubChem CID:	49835919
Reduced:	FOSN3H16C17 (1)
Stoich.:	ABCD3E16F17 (1)
Weight, g/mol:	371.146762
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	3.71
IP(EA), eV:	-8.38(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-ethyl-2-ethylimino-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC=C2)F)C)/C=C/3\C(=O)N=C(S3)NC

DOS

IR

Vibrations