Geometry & MOs

Info

ID:	17522
PubChem CID:	502862
Reduced:	BrSN3O6H8C14 (1)
Stoich.:	ABC3D6E8F14 (1)
Weight, g/mol:	424.93172
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	3.36
IP(EA), eV:	-9.03(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5-bromofuran-2-carbonyl)amino]thiophen-3-yl]-5-hydroxy-4-oxo-1H-pyrimidine-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)C(=O)NC2=CSC=C2C3=NC(=O)C(=C(N3)C(=O)O)O

DOS

IR

Vibrations