Geometry & MOs

Info

ID:	176609
PubChem CID:	76073030
Reduced:	BrFON6H16C17 (1)
Stoich.:	ABCD6E16F17 (1)
Weight, g/mol:	398.049191
ΔH_f, kcal/mol:	8.24
Dipole, Da:	4.07
IP(EA), eV:	-9.26(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,5Z)-2-[2-(2-chloropyridin-3-yl)-2-oxoethylidene]-5-(3,4-dihydro-2H-chromen-6-ylmethylidene)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CNC[C@H](C1=CC(=C(C=C1)F)Br)NC2=NC=NC3=C(C=CN=C32)C(=O)N

DOS

IR

Vibrations