Geometry & MOs

Info

ID:	54462
PubChem CID:	17388715
Reduced:	BrSO2N4H13C15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	292.063011
ΔH_f, kcal/mol:	23.25
Dipole, Da:	6.11
IP(EA), eV:	-8.83(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(5-methylfuran-2-yl)methylideneamino]-2-methylsulfanyl-4-oxo-1H-pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC(=O)C=C(N1)C(=O)N/N=C/C(=C/C2=CC=CC=C2)/Br

DOS

IR

Vibrations