Geometry & MOs

Info

ID:	214711
PubChem CID:	85083450
Reduced:	Br2O5C26H30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	582.30718
ΔH_f, kcal/mol:	-171.99
Dipole, Da:	2.13
IP(EA), eV:	-9.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3a-(decoxymethyl)-2,2-dimethyl-5-(morpholin-4-ylmethyl)-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-yl] N-(4-chlorophenyl)carbamate

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#CCCOC(=O)CBr)O)CCC4=C3C=CC(=C4)OC(=O)CBr

DOS

IR

Vibrations