Geometry & MOs

Info

ID:	289363
PubChem CID:	104347331
Reduced:	SO3N5C12H13 (1)
Stoich.:	AB3C5D12E13 (1)
Weight, g/mol:	309.100794
ΔH_f, kcal/mol:	41.66
Dipole, Da:	4.48
IP(EA), eV:	-9.33(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[2-(ethoxymethyl)-6-hydrazinylpyrimidin-4-yl]sulfanyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COCC1=NC(=CC(=N1)SC2=CC=CC=C2[N+](=O)[O-])NN

DOS

IR

Vibrations