Geometry & MOs

Info

ID:	183964
PubChem CID:	77095630
Reduced:	S2N3O3C11H19 (1)
Stoich.:	A2B3C3D11E19 (1)
Weight, g/mol:	310.142976
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	4.54
IP(EA), eV:	-9.58(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-5-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)C(=O)NCCS(=O)(=O)N(C)C

DOS

IR

Vibrations