Geometry & MOs

Info

ID:	80706
PubChem CID:	49835985
Reduced:	OSF2N3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	353.156184
ΔH_f, kcal/mol:	-59.61
Dipole, Da:	2.86
IP(EA), eV:	-8.42(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN=C1N(C(=O)/C(=C\C2=CN(C=C2)C3=C(C=C(C=C3)F)F)/S1)CC

DOS

IR

Vibrations