Geometry & MOs

Info

ID:	192925
PubChem CID:	78325652
Reduced:	SO3N4C11H14 (1)
Stoich.:	AB3C4D11E14 (1)
Weight, g/mol:	500.196765
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	7.74
IP(EA), eV:	-9.39(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

C1C(NC(NC1=O)SCC2=CC(=CC=C2)[N+](=O)[O-])N

DOS

IR

Vibrations