Geometry & MOs

Info

ID:	132403
PubChem CID:	51358320
Reduced:	ClFNC10H13 (1)
Stoich.:	ABCD10E13 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	-69.03
Dipole, Da:	5.58
IP(EA), eV:	-9.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3'R,4'S,6'R)-6'-(2-hydroxyethyl)-7-methylspiro[4,5-dihydro-3H-2-benzoxepine-1,2'-oxane]-3',4'-diol

Drug info:

PubChemData

Smile

C1C[C@@H](NC1)C2=CC(=CC=C2)F.Cl

DOS

IR

Vibrations