Geometry & MOs

Info

ID:	145755
PubChem CID:	53587718
Reduced:	N2O4C19H28 (1)
Stoich.:	A2B4C19D28 (1)
Weight, g/mol:	297.063506
ΔH_f, kcal/mol:	-167.12
Dipole, Da:	7.82
IP(EA), eV:	-8.76(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CCCN(CC(=O)N(C)C)C(=O)CCCOC1=CC=CC(=C1)C(=O)C

DOS

IR

Vibrations