Geometry & MOs

Info

ID:	172601
PubChem CID:	75529544
Reduced:	NO5C16H23 (1)
Stoich.:	AB5C16D23 (1)
Weight, g/mol:	333.118793
ΔH_f, kcal/mol:	-212.33
Dipole, Da:	4.45
IP(EA), eV:	-9.08(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(methoxymethyl)cyclopentyl]-4-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

COC[C@H]1C[C@H]([C@@H]([C@@H]1O)O)NC(=O)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations