Geometry & MOs

Info

ID:	223678
PubChem CID:	85335408
Reduced:	NO3F6H21C24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	485.166137
ΔH_f, kcal/mol:	-347.08
Dipole, Da:	3.93
IP(EA), eV:	-9.14(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5,6-tetrahydroxy-N-methyl-N-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]oxane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)OC2=CC=CC(=C2)N(CC(C(F)(F)F)O)OC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations