Geometry & MOs

Info

ID:	173401
PubChem CID:	75634420
Reduced:	O2N4C19H25 (1)
Stoich.:	A2B4C19D25 (1)
Weight, g/mol:	326.059937
ΔH_f, kcal/mol:	25.98
Dipole, Da:	4.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758855
Charge, e:	-1

Chem-info

IUPAC name:

5-cyano-2-(furan-2-yl)-3-(4-methoxyphenyl)-4-sulfanylidene-1,2-dihydropyrimidin-6-olate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CC([NH+]3C(N2)NCN3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations