Geometry & MOs

Info

ID:	13948
PubChem CID:	400708
Reduced:	SN2O3H12C16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	312.056863
ΔH_f, kcal/mol:	-33.1
Dipole, Da:	1.87
IP(EA), eV:	-8.71(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)C=C3C(=O)NC(=NC3=O)S

DOS

IR

Vibrations