Geometry & MOs

Info

ID:	82942
PubChem CID:	49856855
Reduced:	ClSO3N7C24H24 (1)
Stoich.:	ABC3D7E24F24 (1)
Weight, g/mol:	379.096834
ΔH_f, kcal/mol:	8.97
Dipole, Da:	7.77
IP(EA), eV:	-8.37(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-pyrimidin-4-yl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NN(C=C2NC(=O)C3=C4N=CC=CN4N=C3)CC(=O)NC5CCSCC5

DOS

IR

Vibrations