Geometry & MOs

Info

ID:	404419
PubChem CID:	135066274
Reduced:	NO5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	349.188923
ΔH_f, kcal/mol:	-203.69
Dipole, Da:	7.15
IP(EA), eV:	-8.58(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S,4S)-4-hexyl-3-(2-hydroxyanilino)-2-oxooxolane-3-carboxylate

Drug info:

PubChemData

Smile

CCCC[C@H]1COC(=O)[C@]1(C(=O)OCC)NC2=CC=CC=C2O

DOS

IR

Vibrations