Geometry & MOs

Info

ID:	66816
PubChem CID:	46505318
Reduced:	S2N4O5H18C21 (1)
Stoich.:	A2B4C5D18E21 (1)
Weight, g/mol:	516.069275
ΔH_f, kcal/mol:	-41.56
Dipole, Da:	3.6
IP(EA), eV:	-8.89(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[3-chloro-4-[2-(2-methoxyphenoxy)ethoxy]phenyl]methylidene]-3-ethylsulfanyl-5-imino-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3SCC)OC(=O)C4=CC=CO4

DOS

IR

Vibrations