Geometry & MOs

Info

ID:	17518
PubChem CID:	502524
Reduced:	ClSN4O5H13C17 (1)
Stoich.:	ABC4D5E13F17 (1)
Weight, g/mol:	420.029518
ΔH_f, kcal/mol:	-133.4
Dipole, Da:	4.48
IP(EA), eV:	-9.08(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)NC2=C(SC=C2)C3=NC(=O)C(=C(N3)C(=O)O)O)Cl

DOS

IR

Vibrations