Geometry & MOs

Info

ID:	66778
PubChem CID:	46505247
Reduced:	BrO2S2N4H7C11 (1)
Stoich.:	AB2C2D4E7F11 (1)
Weight, g/mol:	445.95068
ΔH_f, kcal/mol:	65.61
Dipole, Da:	5.52
IP(EA), eV:	-8.86(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(O3)Br)/C(=N)N21

DOS

IR

Vibrations