Geometry & MOs

Info

ID:	66782
PubChem CID:	46505252
Reduced:	OS2N5H9C12 (1)
Stoich.:	AB2C5D9E12 (1)
Weight, g/mol:	388.066383
ΔH_f, kcal/mol:	95.49
Dipole, Da:	4.42
IP(EA), eV:	-8.95(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[(Z)-(3-methoxy-4-oxo-5-prop-2-enylcyclohexa-2,5-dien-1-ylidene)methyl]-3-methylsulfanyl-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CSC1=NSC2=NC(=O)/C(=C\C3=CN=CC=C3)/C(=N)N21

DOS

IR

Vibrations