Geometry & MOs

Info

ID:	192433
PubChem CID:	78268914
Reduced:	ClSN2O5H19C23 (1)
Stoich.:	ABC2D5E19F23 (1)
Weight, g/mol:	464.13925
ΔH_f, kcal/mol:	-83.39
Dipole, Da:	3.35
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-amino-1,3-dimethyl-5-[2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-5H-pyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

C1=COC(=C1)C2C=C(NN2C(=O)COC(=O)CCC(=O)C3=CC=CS3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations