Geometry & MOs

Info

ID:	26294
PubChem CID:	643854
Reduced:	BrON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	379.145344
ΔH_f, kcal/mol:	30.87
Dipole, Da:	4.5
IP(EA), eV:	-9.24(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-[(4S,5R)-5-methyl-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazol-2-yl]but-1-enyl] butanoate

Drug info:

PubChemData

Smile

CN1C=NC=C1/C=C\CNC(=O)C2=CC(=CN2)Br

DOS

IR

Vibrations