Geometry & MOs

Info

ID:	443495
PubChem CID:	135259191
Reduced:	SO3N5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	353.160023
ΔH_f, kcal/mol:	3.52
Dipole, Da:	4.09
IP(EA), eV:	-8.77(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7Z)-6-oxo-7-[(E)-4-(7H-purin-6-ylamino)pent-3-en-2-ylidene]-5,8-diazaspiro[3.4]octane-8-carbaldehyde

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(N=CN=C2S1)NC3=CC(=C4C(=O)NC5(N4C3=C5)C)C)C

DOS

IR

Vibrations