Geometry & MOs

Info

ID:	39026
PubChem CID:	8138384
Reduced:	ClSN4O4C14H15 (1)
Stoich.:	ABC4D4E14F15 (1)
Weight, g/mol:	343.07391
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	3.81
IP(EA), eV:	-9.18(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-methyl-5-(2-quinazolin-4-ylsulfanylacetyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CS(=O)(=O)N(CC(=O)NNC(=O)C1=CC=CN1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations