Geometry & MOs

Info

ID:	406272
PubChem CID:	135077110
Reduced:	ClOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	484.05215
ΔH_f, kcal/mol:	2.92
Dipole, Da:	4.14
IP(EA), eV:	-8.59(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,5R)-5-(5-bromofuran-2-yl)-2-(4-methylbenzoyl)oxyoxolan-3-yl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CS(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations