Geometry & MOs

Info

ID:	153212
PubChem CID:	56312372
Reduced:	SO3N4C24H32 (1)
Stoich.:	AB3C4D24E32 (1)
Weight, g/mol:	314.143056
ΔH_f, kcal/mol:	-86.2
Dipole, Da:	6.78
IP(EA), eV:	-8.68(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-fluoro-N-propan-2-ylanilino)ethyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCCN2CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations