Geometry & MOs

Info

ID:	15854
PubChem CID:	453713
Reduced:	SN2O5C14H16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	324.077993
ΔH_f, kcal/mol:	-189.07
Dipole, Da:	3.85
IP(EA), eV:	-9.13(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethoxymethyl)-6-(4-hydroxyphenyl)sulfanyl-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(N(C(=O)NC1=O)COCCO)SC2=CC=C(C=C2)O

DOS

IR

Vibrations