Geometry & MOs

Info

ID:	17519
PubChem CID:	502660
Reduced:	SN3O6H17C22 (1)
Stoich.:	AB3C6D17E22 (1)
Weight, g/mol:	451.083806
ΔH_f, kcal/mol:	-154.31
Dipole, Da:	3.08
IP(EA), eV:	-8.96(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-2-[3-(2-naphthalen-1-ylethoxycarbonylamino)thiophen-2-yl]-4-oxo-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CCOC(=O)NC3=C(SC=C3)C4=NC(=O)C(=C(N4)C(=O)O)O

DOS

IR

Vibrations