Geometry & MOs

Info

ID:	46223
PubChem CID:	10523369
Reduced:	Cl2O3H14C20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	372.05724
ΔH_f, kcal/mol:	-65.12
Dipole, Da:	3.75
IP(EA), eV:	-9.68(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-bromoethanol

Drug info:

PubChemData

Smile

C=C(CC1=CC2=C(C(=C1CC(=C)Cl)O)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations