Geometry & MOs

Info

ID:	268102
PubChem CID:	103597888
Reduced:	ClSN2O3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	238.095357
ΔH_f, kcal/mol:	-122.41
Dipole, Da:	3.49
IP(EA), eV:	-9.46(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enyl 2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetate

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCN(CC1)S(=O)(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations