Geometry & MOs

Info

ID:	73822
PubChem CID:	48420564
Reduced:	SN2O6H16C20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	377.137556
ΔH_f, kcal/mol:	-82.17
Dipole, Da:	6.35
IP(EA), eV:	-10.02(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] (E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)CS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations