Geometry & MOs

Info

ID:	381545
PubChem CID:	134972313
Reduced:	NO5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	296.137222
ΔH_f, kcal/mol:	-207.17
Dipole, Da:	1.02
IP(EA), eV:	-8.49(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5S)-4-hydroxy-6-methyl-2-methylidene-5-(1,2-oxazole-3-carbonylamino)heptanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C2CC(O1)C3=CC=CC=C3N2)OC(=O)C

DOS

IR

Vibrations