Geometry & MOs

Info

ID:	160756
PubChem CID:	57389696
Reduced:	O7H28C30 (1)
Stoich.:	A7B28C30 (1)
Weight, g/mol:	159.054564
ΔH_f, kcal/mol:	-217.24
Dipole, Da:	4.55
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-sulfanylidene-5-(trideuteriomethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C([C@H](CC(=O)C=C1/C=C/C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC(=CC(=C4)O)O

DOS

IR

Vibrations