Geometry & MOs

Info

ID:	322117
PubChem CID:	126668715
Reduced:	SN3O3F4H21C23 (1)
Stoich.:	AB3C3D4E21F23 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	-249.68
Dipole, Da:	4.73
IP(EA), eV:	-9.71(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-5-oxo-[1,3]oxazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2=C1C=CC(=C2)S(=O)(=O)NC3=NC=NC=C3)C4=C(C=C(C=C4)C(F)(F)F)CCF

DOS

IR

Vibrations