Geometry & MOs

Info

ID:	66784
PubChem CID:	46505257
Reduced:	OS2N5C21H21 (1)
Stoich.:	AB2C5D21E21 (1)
Weight, g/mol:	512.118812
ΔH_f, kcal/mol:	74.29
Dipole, Da:	9.74
IP(EA), eV:	-8.5(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)/C=C\3/C(=N)N4C(=NC3=O)SN=C4SC)C

DOS

IR

Vibrations