Geometry & MOs

Info

ID:	361793
PubChem CID:	127304640
Reduced:	SF2N2O4C16H18 (1)
Stoich.:	AB2C2D4E16F18 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-241.41
Dipole, Da:	3.64
IP(EA), eV:	-9.14(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxo-1,4-thiazepan-4-yl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2CCN(C2=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations