Geometry & MOs

Info

ID:	162139
PubChem CID:	57393744
Reduced:	NSO5C24H25 (1)
Stoich.:	ABC5D24E25 (1)
Weight, g/mol:	392.110711
ΔH_f, kcal/mol:	-142.5
Dipole, Da:	11.88
IP(EA), eV:	-9.29(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-[[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(pyridin-2-ylamino)-1,3-thiazol-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

DOS

IR

Vibrations