Geometry & MOs

Info

ID:	186190
PubChem CID:	77400778
Reduced:	SN4O4C13H16 (1)
Stoich.:	AB4C4D13E16 (1)
Weight, g/mol:	490.131091
ΔH_f, kcal/mol:	-124.46
Dipole, Da:	3.22
IP(EA), eV:	-8.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-amino-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-4-benzoyloxyoxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(=O)OC1CC(OC1N2C(=C)SC3=CN=C(N=C32)N)CO

DOS

IR

Vibrations