Geometry & MOs

Info

ID:	66771
PubChem CID:	46505239
Reduced:	OS2N5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	516.069275
ΔH_f, kcal/mol:	93.62
Dipole, Da:	10.22
IP(EA), eV:	-8.49(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-5-imino-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C\3/C(=N)N4C(=NC3=O)SN=C4SC

DOS

IR

Vibrations