Geometry & MOs

Info

ID:	19661
PubChem CID:	569934
Reduced:	OSN6C14H14 (1)
Stoich.:	ABC6D14E14 (1)
Weight, g/mol:	314.09498
ΔH_f, kcal/mol:	47.14
Dipole, Da:	3.85
IP(EA), eV:	-9.13(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-N-benzoyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboximidothioic acid

Drug info:

PubChemData

Smile

C1C2=C(CN1C(=NC(=O)C3=CC=CC=C3)S)N=C(N=C2N)N

DOS

IR

Vibrations