Geometry & MOs

Info

ID:	38119
PubChem CID:	8027161
Reduced:	NO5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	319.141973
ΔH_f, kcal/mol:	-159.42
Dipole, Da:	1.95
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C[C@@H]1CC(=NO1)C2=CC=C(C=C2)OC)C(=O)C

DOS

IR

Vibrations