Geometry & MOs

Info

ID:	16395
PubChem CID:	466692
Reduced:	SO2N3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	351.104148
ΔH_f, kcal/mol:	-3.66
Dipole, Da:	6.19
IP(EA), eV:	-9.19(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-6-phenylsulfanyl-1-(3-pyridin-3-ylprop-2-enyl)pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(N(C(=O)NC1=O)CC=CC2=CN=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations