Geometry & MOs

Info

ID:	406730
PubChem CID:	135078462
Reduced:	O2N3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	662.193474
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	6.0
IP(EA), eV:	-8.86(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-acetamido-4-acetyloxy-2-[N-phenyl-C-(trifluoromethyl)carbonimidoyl]oxy-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N)NC2=CC(=NC=C2)C(=O)O

DOS

IR

Vibrations