Geometry & MOs

Info

ID:	192303
PubChem CID:	78254511
Reduced:	BrO7H21C24 (1)
Stoich.:	AB7C21D24 (1)
Weight, g/mol:	483.076803
ΔH_f, kcal/mol:	-217.91
Dipole, Da:	3.81
IP(EA), eV:	-9.26(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)OC2=COC3CC(CCC3C2=O)OC(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations