Geometry & MOs

Info

ID:	177060
PubChem CID:	76131786
Reduced:	N4O7C27H32 (1)
Stoich.:	A4B7C27D32 (1)
Weight, g/mol:	276.045687
ΔH_f, kcal/mol:	-261.4
Dipole, Da:	7.46
IP(EA), eV:	-8.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCN2CC3=CC=CC=C3CC2C(=O)NC(CC(=O)O)C=O

DOS

IR

Vibrations