Geometry & MOs

Info

ID:	123562
PubChem CID:	50854170
Reduced:	FOSN3H18C19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	405.046939
ΔH_f, kcal/mol:	-6.66
Dipole, Da:	8.13
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[(1-cyclopentylpyrrol-3-yl)methylidene]-2-(3,4-dichloroanilino)-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C=CC(=C2)/C=C/3\C(=O)N=C(S3)NC4=CC=C(C=C4)F

DOS

IR

Vibrations