Geometry & MOs

Info

ID:	316011
PubChem CID:	126629625
Reduced:	BrClPN3O10C22H28 (1)
Stoich.:	ABCD3E10F22G28 (1)
Weight, g/mol:	241.97092
ΔH_f, kcal/mol:	-473.38
Dipole, Da:	7.05
IP(EA), eV:	-9.1(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5R)-3-bromo-3-chloro-5-ethyl-4-methyloxolan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)N[P@](=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)NC2=O)(Cl)Br)O)OC3=CC=CC(=C3)OC

DOS

IR

Vibrations