Geometry & MOs

Info

ID:	234514
PubChem CID:	92298591
Reduced:	N2O3F4H10C18 (1)
Stoich.:	A2B3C4D10E18 (1)
Weight, g/mol:	425.023705
ΔH_f, kcal/mol:	-185.95
Dipole, Da:	4.12
IP(EA), eV:	-9.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-anilino-5-[[5-(3-chloro-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)[C@H]3[C@H](C2=O)ON=C3C4=CC=C(C=C4)F

DOS

IR

Vibrations