Geometry & MOs

Info

ID:	342156
PubChem CID:	127264869
Reduced:	SN3O3H11C15 (1)
Stoich.:	AB3C3D11E15 (1)
Weight, g/mol:	324.068097
ΔH_f, kcal/mol:	3.44
Dipole, Da:	3.98
IP(EA), eV:	-9.18(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[2-(furan-2-yl)-1,3-thiazol-5-yl]prop-1-en-2-yl]-6-methyl-4-oxo-1H-pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CN=CN=C1C=CC2=CN=C(S2)C3=CC=CO3

DOS

IR

Vibrations