Geometry & MOs

Info

ID:	66804
PubChem CID:	46505295
Reduced:	OS2N5C18H21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	376.066383
ΔH_f, kcal/mol:	61.96
Dipole, Da:	8.27
IP(EA), eV:	-8.37(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-ethylsulfanyl-[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

DOS

IR

Vibrations