Geometry & MOs

Info

ID:	49359
PubChem CID:	11532912
Reduced:	SN2O6C21H26 (1)
Stoich.:	AB2C6D21E26 (1)
Weight, g/mol:	470.01766
ΔH_f, kcal/mol:	-163.38
Dipole, Da:	3.88
IP(EA), eV:	-8.95(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4S,5R)-3-benzoyloxy-5-bromo-4-(difluoromethyl)-4-hydroxyoxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations