Geometry & MOs

Info

ID:	67915
PubChem CID:	46507415
Reduced:	ClSO3N4H19C24 (1)
Stoich.:	ABC3D4E19F24 (1)
Weight, g/mol:	471.161663
ΔH_f, kcal/mol:	30.38
Dipole, Da:	3.04
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=O)C3=C(C4=CC=CC=C4O3)N=C2SCC5=NC(=NO5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations