Geometry & MOs

Info

ID:	50046
PubChem CID:	11539013
Reduced:	ClFON5H15C19 (1)
Stoich.:	ABCD5E15F19 (1)
Weight, g/mol:	420.102059
ΔH_f, kcal/mol:	57.4
Dipole, Da:	10.19
IP(EA), eV:	-7.61(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,4R,5R)-5-acetyloxy-4-benzoyloxy-3,3-difluorooxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1=C2C(=C(N=C(N2)C3=CC=C(C=C3)F)/N=C/4\C=CC(=O)C(=C4)Cl)N(N1)C

DOS

IR

Vibrations