Geometry & MOs

Info

ID:	24795
PubChem CID:	613493
Reduced:	N2S2O3H12C16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	344.028935
ΔH_f, kcal/mol:	-23.06
Dipole, Da:	1.87
IP(EA), eV:	-8.93(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-2-sulfanyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC2=CC=C(O2)C=C3C(=O)NC(=NC3=O)S

DOS

IR

Vibrations