Geometry & MOs

Info

ID:	427377
PubChem CID:	135157890
Reduced:	SF3O7C17H23 (1)
Stoich.:	AB3C7D17E23 (1)
Weight, g/mol:	400.14345
ΔH_f, kcal/mol:	-502.63
Dipole, Da:	2.02
IP(EA), eV:	-10.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-5-[(E)-aminomethylideneamino]-3-benzoyloxy-4-fluoro-4-methyloxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CCC(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)OC(CS(=O)(=O)O)C(F)(F)F

DOS

IR

Vibrations