Geometry & MOs

Info

ID:	344128
PubChem CID:	127267304
Reduced:	SO3N5C15H19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	316.088164
ΔH_f, kcal/mol:	-31.51
Dipole, Da:	6.28
IP(EA), eV:	-8.44(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-phenyl-2,3-dihydro-1,4-oxathiine-6-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NSN=C2OCC(=O)NCCC3=CC=CC=N3

DOS

IR

Vibrations