Geometry & MOs

Info

ID:	376273
PubChem CID:	134222283
Reduced:	FNPSC2O3H7 (1)
Stoich.:	ABCDE2F3G7 (1)
Weight, g/mol:	650.147879
ΔH_f, kcal/mol:	-224.69
Dipole, Da:	2.68
IP(EA), eV:	-10.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-[N-(8-chloroquinolin-2-yl)-4-(1,1-difluoroethoxy)anilino]oxane-2-carboxylate

Drug info:

PubChemData

Smile

CP(=O)(C)NS(=O)(=O)F

DOS

IR

Vibrations