Geometry & MOs

Info

ID:	66824
PubChem CID:	46505332
Reduced:	OS2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	390.082033
ΔH_f, kcal/mol:	51.74
Dipole, Da:	9.05
IP(EA), eV:	-8.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-(2-methylpropylsulfanyl)-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)/C=C\2/C(=N)N3C(=NC2=O)SN=C3SCC(C)C

DOS

IR

Vibrations