Geometry & MOs

Info

ID:	179193
PubChem CID:	76449099
Reduced:	O2C4H5 (4)
Stoich.:	A2B4C5 (4)
Weight, g/mol:	423.058159
ΔH_f, kcal/mol:	-319.84
Dipole, Da:	5.37
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-chloro-2-fluorophenyl)methoxymethyl]-3-hydroxy-5-propan-2-ylidene-6-thiophen-2-ylpyrimidin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=C(C(=O)O)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations