Geometry & MOs

Info

ID:	146658
PubChem CID:	53727034
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	157.073893
ΔH_f, kcal/mol:	-89.93
Dipole, Da:	6.38
IP(EA), eV:	-8.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5S)-2,5-dimethyl-4,5-dihydro-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=S)N1)C(=O)OCC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations