Geometry & MOs

Info

ID:	17517
PubChem CID:	502490
Reduced:	SN2O5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	384.077993
ΔH_f, kcal/mol:	-123.05
Dipole, Da:	1.49
IP(EA), eV:	-8.85(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-[3-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-4-oxo-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SCC2=CC(=CC=C2)C3=NC(=O)C(=C(N3)C(=O)O)O

DOS

IR

Vibrations