Geometry & MOs

Info

ID:	383107
PubChem CID:	134974653
Reduced:	O5C13H14 (1)
Stoich.:	A5B13C14 (1)
Weight, g/mol:	323.209658
ΔH_f, kcal/mol:	-189.67
Dipole, Da:	3.14
IP(EA), eV:	-9.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (4S)-4-(3-hex-1-ynyloxiran-2-yl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)C3=CC=CC=C3)O)OC1=O)O

DOS

IR

Vibrations